data_1qjt_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 1qjt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.517 HD21 ' CD2' ' A' ' 74' ' ' PHE . 20.6 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' SER . 87.9 m -49.67 -70.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -59.46 -33.59 71.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -45.85 -40.9 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -166.71 61.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.941 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 41.67 28.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 68.28 51.65 31.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.416 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 11.3 t-20 -88.08 114.52 59.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.754 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.96 -12.38 21.6 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.416 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 8.6 p -45.08 -40.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 11.6 m-85 -66.32 -37.33 85.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -52.13 -35.19 47.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.55 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -55.62 -40.78 72.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 13.7 m-85 -76.38 -47.6 22.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 21.7 t80 -54.17 -23.71 15.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -24.02 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.16 -37.84 86.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -78.75 -41.4 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -38.67 137.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -111.57 157.57 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.45 -165.55 53.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.02 55.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.7 p -114.35 -37.51 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.37 30.73 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -134.78 143.67 47.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.275 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.535 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 44.4 t -90.01 114.54 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.7 mt -61.83 -11.91 14.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.73 -54.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -43.64 -51.46 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -59.07 -37.52 77.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.528 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -49.88 -55.65 13.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.34 -31.12 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.92 -49.73 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.249 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.57 -33.94 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' SER . 80.1 mt -67.37 -48.25 68.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -21.03 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -78.34 2.49 18.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.4 p -75.24 -71.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 154.09 -28.17 0.72 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.439 ' CD2' ' HB1' ' A' ' 83' ' ' ALA . 9.0 mt -65.67 161.77 49.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 169.51 22.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.07 -31.6 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.5 -64.65 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.457 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -54.89 -36.69 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.3 mt -61.65 -50.32 72.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.39 -43.96 3.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -60.34 -43.55 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ALA . 73.5 mt -56.93 -54.56 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 60' ' ' ALA . 30.3 t-105 -55.45 -56.05 24.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -44.96 -51.11 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -69.83 -27.18 64.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -72.42 -70.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 30.3 t0 -38.26 127.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 m -160.93 -43.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.93 -46.9 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.36 -62.12 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -76.51 146.21 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -44.28 -46.99 8.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 21.8 t -39.73 148.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.528 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 90.4 mt -100.21 174.91 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.423 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -127.35 -150.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -83.24 -94.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 75' ' ' VAL . 1.4 mm100 -39.98 -50.94 2.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -39.74 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 10.3 t80 -60.28 -42.99 96.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.635 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.9 m-85 -60.66 -19.16 57.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.0 t -84.48 -65.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.07 -30.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -77.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.481 ' NE ' ' HH ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -53.56 -26.34 20.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 59' ' ' LEU . 1.1 tt -57.48 -46.46 83.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.471 HG12 ' CB ' ' A' ' 46' ' ' SER . 59.5 t -54.13 -36.89 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.82 -13.75 60.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -75.51 -67.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 108.297 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB1' ' CD2' ' A' ' 48' ' ' LEU . . . -55.46 -19.91 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.31 -25.94 68.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.462 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 22.4 t30 -103.38 -9.2 19.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 97.64 12.82 46.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 94.0 mt -77.88 -178.97 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.796 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.7 OUTLIER -60.13 173.04 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.3 t -115.06 -9.8 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.486 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 37.7 m -94.53 153.44 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.46 -24.68 67.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.9 t -56.28 -18.32 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.496 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.84 29.62 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.43 -177.69 3.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 p 72.89 35.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.5 -161.96 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.47 57.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -68.2 156.81 89.17 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.462 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.1 Cg_endo -75.05 173.88 13.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 145.95 32.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.512 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.92 -163.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -99.76 -31.08 11.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.0 m-85 -39.35 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -65.95 166.15 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.647 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 70' ' ' LYS . 40.0 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.2 m -49.24 -64.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.31 -33.92 75.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -41.1 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -167.61 62.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 42.36 27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.987 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.85 52.86 17.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.424 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 18.5 t-20 -89.41 114.61 61.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.41 18.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 14.4 p -52.0 -38.66 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.637 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 12.0 m-85 -66.46 -34.68 78.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -39.63 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HD3' ' CE1' ' A' ' 22' ' ' TYR . 4.7 ptmt -49.19 -44.06 42.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CE1' ' HD3' ' A' ' 21' ' ' LYS . 12.1 m-85 -75.89 -46.8 28.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE1' HG22 ' A' ' 34' ' ' VAL . 44.4 t80 -51.45 -28.93 14.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -89.47 -24.05 21.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.48 -32.61 73.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -85.72 -40.7 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -39.03 139.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.33 147.56 34.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.65 -170.48 51.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -121.62 51.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.8 p -107.32 -33.08 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.12 25.11 8.07 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -130.73 141.46 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG22 ' CE1' ' A' ' 23' ' ' TYR . 71.0 t -91.99 115.92 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.3 mt -61.3 -12.3 13.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.02 -50.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -44.27 -44.6 8.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -70.51 -35.81 73.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -57.46 -35.71 70.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.15 57.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.42 -47.21 35.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -61.84 -45.58 93.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 46' ' ' SER . 21.1 mt -52.3 -48.43 65.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 46' ' ' SER . 1.9 mttm -47.44 -24.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -81.46 24.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.483 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 86.9 p -97.38 -74.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 160.29 -26.68 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.481 HD11 ' CG1' ' A' ' 80' ' ' VAL . 14.5 mt -67.66 161.85 62.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.401 ' CD ' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.94 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.798 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.528 ' HD2' ' N ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -96.57 -37.42 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -60.24 -54.1 49.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.483 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 mm -63.3 -34.68 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ILE . 8.6 mt -63.58 -51.82 63.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.11 -45.74 4.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -57.61 -44.31 85.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.53 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 47.3 mt -56.15 -54.49 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' ALA . 26.9 t-105 -55.34 -55.87 26.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 107.956 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -43.45 -49.37 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.06 -31.22 67.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.28 -68.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ALA . 23.2 t70 -38.75 126.98 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 m -161.78 -43.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.382 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -49.22 -47.54 46.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.49 -57.62 0.67 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -82.48 139.13 34.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.738 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -39.19 -41.28 1.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 45.8 t -43.74 145.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.422 ' N ' HG11 ' A' ' 67' ' ' VAL . 31.4 mt -99.94 171.16 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -123.99 -149.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.07 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -83.12 -90.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 9.5 mt-30 -39.28 -47.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.087 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -43.27 -72.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.533 ' CE1' HD13 ' A' ' 77' ' ' LEU . 22.9 t80 -57.44 -40.02 77.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.637 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -66.61 -10.76 49.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -93.41 -60.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.1 -28.07 2.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.59 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -61.14 -69.36 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.498 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -61.03 -25.86 67.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.424 ' CD2' ' O ' ' A' ' 89' ' ' VAL . 0.9 OUTLIER -57.77 -41.1 81.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.481 ' CG1' HD11 ' A' ' 48' ' ' LEU . 44.8 t -60.07 -40.28 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.88 -14.81 37.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -68.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 108.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB1' ' CD1' ' A' ' 48' ' ' LEU . . . -56.0 -19.68 13.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -61.16 -23.28 65.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.467 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 21.0 t-20 -102.83 -11.46 18.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.06 10.44 39.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.93 -179.69 6.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -60.71 165.44 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.53 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 8.9 t -106.41 -10.74 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.0 m -94.36 150.57 20.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' A' ' 94' ' ' LEU . 6.1 mt -58.42 -25.38 62.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 m -52.29 -20.91 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.496 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -120.45 32.05 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.433 ' CB ' HD21 ' A' ' 91' ' ' LEU . 4.2 mm? -109.75 -177.51 3.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p 74.8 31.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.79 -161.12 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.35 68.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -77.25 157.15 81.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.467 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -74.98 174.39 12.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.51 33.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.505 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.05 -163.52 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -99.65 -30.66 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.8 m-85 -39.04 161.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 171.22 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 14.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' SER . 1.7 t -48.55 -54.46 14.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -76.18 -33.12 59.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.75 -38.32 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' ASN . 0.4 OUTLIER -170.17 60.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 44.88 26.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 67.42 40.46 91.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' SER . 8.8 t-20 -68.58 121.27 80.28 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -9.4 20.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.8 -43.76 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.631 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 19.0 m-85 -66.61 -35.02 79.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -38.04 82.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -52.53 -44.8 65.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -73.93 -50.65 19.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -54.11 -19.97 5.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -24.72 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -38.88 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -75.02 -40.73 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -40.61 143.89 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.94 139.89 53.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.95 -175.87 43.65 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -115.99 47.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 p -109.63 -27.17 9.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.82 32.66 10.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -134.54 139.62 45.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.274 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 88.3 t -86.11 115.05 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.525 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.1 mt -61.57 -12.09 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.2 -56.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mp -43.06 -39.19 2.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -71.6 -44.77 63.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.447 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -47.63 -45.53 27.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.23 76.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -62.2 -52.98 61.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -64.05 -43.42 95.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 46' ' ' SER . 82.2 mt -56.35 -48.67 76.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -47.1 -25.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 43' ' ' LEU . 3.1 mtmt -81.44 25.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' LEU . 82.6 p -93.39 -74.02 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.6 -28.01 0.48 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 HD11 ' CG1' ' A' ' 80' ' ' VAL . 12.0 mt -67.91 160.42 74.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.69 12.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -77.03 -37.62 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.28 -63.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.45 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.8 mm -54.66 -36.76 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.2 mt -62.18 -51.53 67.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.66 -44.26 2.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -60.46 -45.9 92.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 14.8 mt -55.35 -52.87 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' ALA . 26.7 t-105 -54.85 -55.29 31.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -45.3 -43.19 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -75.97 -30.52 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -71.26 -67.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TRP . 17.3 t70 -38.98 127.57 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.8 m -144.65 -45.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -48.26 -57.91 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 65' ' ' LYS . . . 103.77 82.53 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER 168.32 -42.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.326 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 145.81 -60.97 0.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 21.4 t -40.06 148.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.447 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 36.3 mt -100.37 -176.47 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -143.55 174.62 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -49.14 -92.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.54 -50.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -41.03 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.6 t80 -57.73 -40.76 80.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -63.08 -16.7 60.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.3 t -89.43 -63.88 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.44 -26.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -76.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CZ ' ' HG3' ' A' ' 101' ' ' PRO . 1.1 mmp_? -56.08 -37.75 69.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 tt -45.94 -42.28 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.418 ' CG1' HD11 ' A' ' 48' ' ' LEU . 39.3 t -61.14 -40.58 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 78' ' ' ARG . . . -59.75 -17.3 34.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.432 ' SG ' ' CG1' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -77.02 -67.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.281 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.412 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -48.58 -24.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.12 -13.13 23.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.4 t30 -115.07 2.45 14.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.93 10.37 75.62 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.07 164.29 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.459 ' N ' ' OG ' ' A' ' 93' ' ' SER . 1.9 tt0 -42.1 164.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.519 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 15.6 t -108.11 -6.44 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.25 169.31 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.12 -19.78 8.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -67.49 -6.5 19.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -94.8 -15.77 23.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.453 ' O ' ' CB ' ' A' ' 95' ' ' SER . 9.2 mt -87.66 179.9 6.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.5 p 82.19 2.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.041 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.06 -166.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.08 56.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.432 ' CG1' ' SG ' ' A' ' 82' ' ' CYS . 23.2 m -52.2 146.13 16.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.457 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.06 174.07 13.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.51 29.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.557 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.98 -164.11 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 1.3 ttt-85 -99.62 -30.7 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 26.6 m-85 -39.32 161.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -66.35 166.64 11.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.484 ' O ' ' CA ' ' A' ' 14' ' ' SER . 8.0 m -55.69 -52.19 64.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -32.74 59.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.85 -38.81 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -168.37 60.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.484 ' CA ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 44.05 26.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.478 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 71.51 51.81 15.1 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.436 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 23.9 t-20 -88.01 116.18 65.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.43 21.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.436 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 11.9 p -46.49 -38.97 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.739 ' HH ' ' CD ' ' A' ' 78' ' ' ARG . 12.9 m-85 -65.82 -41.22 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -39.84 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -44.95 -50.56 10.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 15.7 m-85 -70.24 -42.43 72.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.666 ' CD1' ' CG ' ' A' ' 73' ' ' PHE . 7.3 t80 -54.11 -29.25 44.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 -26.83 29.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -34.35 75.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -81.74 -35.66 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' N ' HG21 ' A' ' 26' ' ' VAL . 1.1 tt0 -48.4 143.64 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.342 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -113.29 165.29 12.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.88 -168.66 1.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -120.54 47.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.8 p -99.98 -34.66 10.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.74 30.01 7.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -134.56 145.37 48.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' A' ' 23' ' ' TYR . 55.3 t -93.21 112.61 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -59.7 -13.42 9.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.86 -54.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -41.74 -41.32 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -73.45 -42.19 62.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.538 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -52.23 -39.4 60.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -69.62 -30.0 67.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.92 -49.9 47.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 78.8 t80 -62.39 -34.39 76.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.8 mt -68.87 -46.92 67.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -21.31 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.81 0.69 22.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.7 p -69.58 -72.88 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.415 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 159.67 -27.13 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.437 HD13 ' CG1' ' A' ' 80' ' ' VAL . 12.0 mt -68.9 162.13 66.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 168.27 25.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -75.7 -33.6 60.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.71 -67.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -51.41 -37.75 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.7 mt -62.13 -50.04 73.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.48 -46.89 2.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -58.74 -45.67 89.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.467 HG13 ' CG1' ' A' ' 89' ' ' VAL . 33.7 mt -56.66 -50.19 75.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 13.9 t-105 -55.38 -58.93 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -47.26 -39.66 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 79' ' ' LEU . 1.7 tm? -74.77 -31.03 61.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -77.2 -69.05 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 57' ' ' TRP . 13.4 t70 -37.22 128.24 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 m -157.66 -44.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -43.98 -47.76 8.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.0 -63.54 0.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -72.82 140.2 47.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -37.94 -45.08 1.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 21.6 t -39.39 148.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.538 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 26.9 mt -100.58 170.17 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -127.3 179.27 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -54.31 -96.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.07 -50.45 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 3.9 mp0 -41.51 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.666 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 25.6 t80 -59.55 -36.74 76.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.6 m-85 -66.96 -17.0 64.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.2 t -86.31 -66.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.447 ' O ' ' CG2' ' A' ' 80' ' ' VAL . . . -43.88 -27.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.505 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -61.81 -78.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.739 ' CD ' ' HH ' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -53.06 -38.07 62.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 82' ' ' CYS . 1.6 tt -49.11 -44.24 42.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 76' ' ' ALA . 73.0 t -55.6 -38.1 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.76 -12.67 49.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 6.9 t -73.75 -73.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB1' ' CD1' ' A' ' 48' ' ' LEU . . . -51.27 -25.23 5.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.408 ' N ' HD12 ' A' ' 48' ' ' LEU . 2.2 mm-40 -53.53 -30.35 41.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.462 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 3.7 t30 -108.86 21.16 17.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.09 13.82 73.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 74.8 mt -77.95 161.89 27.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.54 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -43.21 166.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.467 ' CG1' HG13 ' A' ' 56' ' ' ILE . 1.8 t -113.32 -13.23 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.475 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 60.5 m -94.37 149.74 20.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.26 -21.76 66.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.3 m -59.7 -15.26 18.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.54 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -126.02 32.49 5.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 90' ' ' SER . 4.1 mm? -111.96 -178.59 3.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.1 p 79.23 27.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.946 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.69 -160.52 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.57 70.35 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 m -78.02 148.14 74.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.462 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -75.01 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.551 1.816 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.79 32.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.529 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -163.82 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -99.76 -30.85 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 25.7 m-85 -39.0 161.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -67.9 169.33 10.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.569 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.569 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 15.8 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' GLY . 68.1 p -51.11 -64.31 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -57.2 -29.98 64.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.401 HD11 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -58.13 -16.68 14.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -149.51 21.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.6 OUTLIER 58.92 16.05 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 104.36 52.16 0.89 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 7.0 t-20 -134.32 109.37 11.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.02 2.53 6.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 p -42.98 -36.76 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.609 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -65.7 -42.21 91.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -45.44 -39.37 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -51.66 -64.36 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-30 -56.76 -44.27 81.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -54.13 -32.36 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.6 -25.43 28.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -37.16 83.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.516 ' CG2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -78.92 -37.78 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -41.14 138.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -112.48 132.04 55.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.89 -171.2 42.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -121.84 51.44 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.9 p -113.37 -14.41 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.392 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.63 66.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.5 145.84 40.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.523 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 2.0 t -99.56 115.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 2.1 mt -62.29 -11.99 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . 80.16 -54.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -41.08 -41.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -70.59 -45.41 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.551 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -50.24 -42.25 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.85 -30.88 71.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.1 50.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 35.3 t80 -62.57 -37.41 86.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.0 mt -63.1 -43.81 97.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -22.19 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.96 -4.09 30.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.2 p -67.64 -73.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.55 -23.75 0.5 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 23.4 mt -70.92 161.24 79.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -31.39 12.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.83 -63.78 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.466 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.5 mm -57.21 -35.15 47.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 mt -64.49 -45.0 89.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.85 -46.95 9.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -43.8 98.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.511 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 4.0 mt -57.02 -56.03 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ALA . 21.6 t-105 -55.32 -55.01 36.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -45.72 -42.12 11.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 91' ' ' LEU . 1.7 tm? -77.15 -30.42 55.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.14 -61.29 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' ALA . 22.1 t70 -39.18 132.15 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -165.89 -42.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -62.42 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.17 115.35 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 163.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 85.09 -15.57 43.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 6.2 t -152.71 150.23 12.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.774 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.551 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 49.0 mt -106.05 163.99 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.6 m -118.6 -174.09 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -59.89 -97.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' VAL . 38.6 mt-30 -37.5 -37.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -55.91 -25.77 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -82.0 -2.07 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.9 t -104.63 -51.92 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.06 -29.35 63.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.581 ' CD1' ' CE2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -51.57 -71.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.538 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 2.6 mmp_? -60.74 -41.45 95.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.87 -40.68 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.418 ' CG1' HD13 ' A' ' 48' ' ' LEU . 75.1 t -58.74 -43.99 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.32 -18.31 26.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -67.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.337 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.58 -21.47 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -69.31 -14.53 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 21.8 t-20 -109.36 -4.84 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.74 10.31 67.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.9 mt -77.85 -179.02 5.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 1.8 tp10 -59.28 163.15 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.511 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 3.1 t -105.57 -10.55 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.6 m -94.53 140.74 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 59' ' ' LEU . 5.7 mt -54.02 -25.24 20.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.6 m -54.31 -19.47 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.503 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.28 29.84 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' N ' HD21 ' A' ' 94' ' ' LEU . 4.2 mm? -108.74 -177.36 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 p 74.59 32.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.99 -162.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.12 61.81 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.5 m -70.89 148.33 94.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.464 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -74.98 174.07 13.41 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 142.99 28.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.555 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.02 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 103' ' ' PHE . 1.4 ttt180 -100.67 -30.87 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 26.6 m-85 -38.85 161.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -65.9 146.12 55.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.547 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.521 HD23 ' CG ' ' A' ' 74' ' ' PHE . 6.6 mt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 14' ' ' SER . 8.4 m -52.99 -59.78 4.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -61.58 -30.39 70.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -45.52 -54.95 6.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -149.85 49.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 59.14 12.6 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 93.39 55.06 1.61 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.471 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 32.3 t-20 -106.8 118.32 54.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.59 8.72 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 9.3 p -56.1 -41.28 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.661 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -67.04 -35.16 79.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.051 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.543 ' OE1' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.53 -35.88 78.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -43.44 20.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.563 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 14.1 m-85 -71.13 -45.17 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.631 ' CE2' ' CG2' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -54.33 -32.44 56.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -27.79 51.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.29 -34.74 78.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.501 ' CG2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.68 -10.57 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.78 140.38 58.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.21 156.27 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.91 -177.01 53.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.55 1.156 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -114.78 47.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.8 p -111.35 -30.58 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.57 27.31 15.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -128.6 155.91 44.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.631 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 2.9 t -86.69 111.14 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.9 mt -61.73 -12.35 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 81.8 -54.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -40.74 -57.98 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -58.41 -40.22 81.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.444 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -47.31 -51.56 18.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.86 -27.43 65.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -67.92 -50.15 57.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 46.5 t80 -66.14 -30.88 71.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.9 mt -64.59 -47.43 78.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -19.73 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -78.87 6.31 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.559 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 92.7 p -80.35 -78.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.987 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.43 -27.98 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.452 HD13 ' CG1' ' A' ' 80' ' ' VAL . 17.6 mt -66.54 161.12 62.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -75.02 -165.22 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.562 1.822 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -95.16 -35.41 11.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.515 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.76 -54.13 49.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.515 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.2 mm -61.39 -35.76 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 7.8 mt -64.72 -50.12 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.33 -43.26 3.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.587 1.18 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.47 ' CB ' HG13 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -63.63 -43.04 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.49 HG13 ' CG1' ' A' ' 89' ' ' VAL . 21.9 mt -57.21 -56.25 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.467 ' O ' ' N ' ' A' ' 60' ' ' ALA . 18.0 t-105 -55.48 -54.54 42.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 108.038 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -44.1 -46.66 8.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.405 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.06 -29.63 60.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -69.25 -67.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ALA . 1.1 t70 -37.85 126.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 m -160.17 -43.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -61.73 -39.05 90.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.91 173.0 18.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.89 -79.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.09 -44.09 0.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 28.2 t -40.31 147.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.444 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 42.3 mt -100.99 174.11 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -129.62 -152.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.7 -89.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.62 -50.72 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.41 -67.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 23' ' ' TYR . 2.0 t80 -58.67 -44.8 90.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -63.23 -10.98 17.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.6 t -94.61 -57.38 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.85 -29.62 29.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.6 OUTLIER -65.55 -71.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.506 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -50.83 -41.47 57.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' CYS . 2.2 tt -45.86 -44.76 14.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.452 ' CG1' HD13 ' A' ' 48' ' ' LEU . 83.3 t -52.59 -42.73 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.68 -18.76 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -72.82 -72.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.34 -22.41 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -59.66 -27.05 66.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 11.0 t-20 -99.98 -13.12 19.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.64 11.88 34.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.85 176.53 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.484 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 4.5 tt0 -55.68 166.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.49 ' CG1' HG13 ' A' ' 56' ' ' ILE . 23.2 t -106.33 -11.79 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.0 m -94.67 149.86 20.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.013 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 5.6 mt -57.1 -24.16 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -52.03 -21.24 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.484 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -121.49 32.49 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 91' ' ' LEU . 4.3 mm? -109.2 -177.62 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 p 68.29 38.17 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.25 -160.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.61 58.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.3 m -71.66 156.36 91.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.465 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.04 174.03 13.5 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.25 33.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.534 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.96 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.9 OUTLIER -99.89 -31.14 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.2 m-85 -39.28 161.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -65.9 174.96 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.571 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' SER . 15.6 m -52.87 -51.66 60.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -33.0 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -42.55 31.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.99 57.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 54.92 18.56 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 75.48 37.08 41.99 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -62.42 118.8 44.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.795 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.04 -21.52 15.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -42.39 -46.9 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.66 ' CE1' ' NH2' ' A' ' 78' ' ' ARG . 6.8 m-85 -65.19 -37.12 86.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -57.6 -34.65 69.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -50.79 71.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.626 ' HH ' ' C ' ' A' ' 104' ' ' HIS . 37.7 m-85 -68.66 -45.34 72.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 2.8 t80 -54.13 -26.65 28.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.42 -23.24 24.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -64.84 -39.65 93.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -71.64 -38.88 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -41.75 129.49 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.59 164.65 14.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.72 -177.51 2.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -106.11 39.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t -90.79 -16.73 27.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.31 1.93 82.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.573 1.171 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.35 160.38 23.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.534 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 85.4 t -81.86 119.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.5 mt -61.46 -12.22 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.67 -56.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.66 -46.84 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -65.82 -36.05 82.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.534 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -51.56 -52.47 47.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.71 -24.65 66.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.05 -56.71 6.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 50.1 t80 -66.02 -28.06 68.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.56 -48.9 36.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -54.36 -23.41 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -75.4 -2.75 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 59.1 p -66.11 -71.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 161.24 -26.82 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.433 ' CD1' HG11 ' A' ' 80' ' ' VAL . 16.1 mt -68.21 161.89 64.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.417 ' CD ' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.99 -169.92 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -92.99 -36.2 12.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -59.82 -53.47 57.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.496 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.2 mt -61.78 -35.83 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.0 mt -64.22 -52.35 59.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.11 -50.15 2.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -46.03 88.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.495 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 5.2 mt -56.49 -53.13 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' ALA . 14.3 t-105 -55.66 -57.09 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.006 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -45.3 -43.51 10.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.423 HD13 ' CG ' ' A' ' 91' ' ' LEU . 1.9 tm? -74.28 -31.4 62.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -72.05 -68.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' ALA . 21.1 t70 -37.7 127.25 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.79 -44.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -56.71 -47.2 80.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.8 173.55 16.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.8 tttt 72.7 -75.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.49 -48.7 0.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 41.9 t -39.98 145.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.534 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 71.9 mt -101.35 -169.19 1.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -147.61 -163.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -65.36 -91.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -43.17 -50.37 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.54 -68.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 77' ' ' LEU . 29.0 t80 -61.71 -35.9 79.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.5 m-85 -70.36 -8.99 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.2 t -93.79 -56.9 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.3 -26.44 29.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.641 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -62.81 -74.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.66 ' NH2' ' CE1' ' A' ' 19' ' ' TYR . 9.3 mmp_? -50.58 -41.28 54.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.407 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -44.71 -41.44 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 48' ' ' LEU . 71.9 t -59.88 -41.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 78' ' ' ARG . . . -61.78 -19.11 62.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.54 -72.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.68 -24.28 13.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 2.7 mm-40 -55.71 -18.98 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.6 t-20 -115.39 20.23 14.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.31 12.1 82.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.7 mt -77.65 170.66 16.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.518 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 3.0 tp10 -52.33 169.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 24.7 t -111.06 -15.24 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.5 m -94.89 139.28 31.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.423 ' CG ' HD13 ' A' ' 59' ' ' LEU . 5.3 mt -51.4 -22.53 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -53.54 -20.23 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.518 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.8 29.41 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 95' ' ' SER . 3.5 mm? -108.34 -179.78 3.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.0 p 83.31 19.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.036 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.8 -161.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.7 59.13 3.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.0 m -64.05 142.43 98.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.472 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -75.02 174.71 12.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 148.3 35.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -165.13 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.442 1.759 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.58 -30.39 12.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 27.2 m-85 -38.93 161.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.626 ' C ' ' HH ' ' A' ' 22' ' ' TYR . 4.0 m-70 -65.63 143.21 57.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 70' ' ' LYS . 6.1 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' SER . 14.6 p -47.89 -53.48 15.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.436 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -31.94 58.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.44 -42.82 43.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.2 56.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 57.52 16.78 3.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.3 43.08 39.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' OD1' ' CG1' ' A' ' 18' ' ' VAL . 10.5 t-20 -66.03 122.15 79.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.03 -19.57 17.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.44 ' CG1' ' OD1' ' A' ' 16' ' ' ASN . 14.0 p -43.65 -44.93 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.8 m-85 -65.87 -35.21 80.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -60.14 -34.07 73.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -58.28 -44.0 88.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -74.56 -47.23 33.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.5 t80 -53.75 -23.33 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.36 -22.51 18.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -37.59 86.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG2' ' CG2' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.04 -24.34 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.93 138.7 57.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.2 165.9 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.29 -175.41 2.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -116.02 33.47 5.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.3 p -83.57 -36.46 23.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.13 21.74 10.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.11 149.03 52.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 0.727 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.587 ' CG2' ' CG2' ' A' ' 26' ' ' VAL . 4.6 p -101.5 110.15 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.3 mt -56.6 -15.95 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.42 -47.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' ALA . 8.2 mp -38.27 -50.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.47 -45.24 84.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' CB ' HD11 ' A' ' 68' ' ' LEU . . . -46.65 -49.98 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.52 -31.12 67.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -70.02 -52.44 24.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -55.35 -46.63 76.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.2 mt -49.16 -48.67 44.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 46' ' ' SER . 2.9 mttp -50.44 -21.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.0 mttm -80.94 19.02 0.91 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 82.9 p -93.24 -75.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 168.03 -30.59 0.17 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.435 HD12 ' CB ' ' A' ' 83' ' ' ALA . 16.2 mt -67.17 161.71 61.16 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -168.48 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -93.08 -37.6 12.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.528 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.44 -51.38 70.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.528 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 mt -64.41 -35.04 73.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.3 mt -63.17 -55.01 28.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.69 -46.4 2.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -58.87 -45.34 90.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.524 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 8.9 mt -56.97 -56.53 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.507 ' CZ2' HD23 ' A' ' 68' ' ' LEU . 15.8 t-105 -52.95 -53.95 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -24.91 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' A' ' 79' ' ' LEU . 1.5 tm? -94.49 -27.52 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -78.39 -60.45 2.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 60' ' ' ALA . 4.8 t70 -38.51 128.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -143.47 -45.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -51.87 -43.52 63.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.21 -66.53 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -41.58 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.6 -46.58 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 46.2 t -40.89 146.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.507 HD23 ' CZ2' ' A' ' 57' ' ' TRP . 26.9 mt -101.04 175.47 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.4 m -133.36 -166.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 16.6 mttt -64.71 -91.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -40.14 -51.05 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -40.12 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 40.6 t80 -60.63 -32.93 72.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.9 m-85 -72.75 -8.22 54.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.8 t -94.78 -63.47 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.72 -27.02 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.51 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -57.86 -75.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -56.64 -37.37 70.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 59' ' ' LEU . 2.1 tt -46.05 -43.92 14.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 t -58.09 -44.65 87.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 98' ' ' VAL . . . -57.98 -23.06 52.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -70.29 -63.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.435 ' CB ' HD12 ' A' ' 48' ' ' LEU . . . -56.24 -19.72 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -5.66 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.48 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 53.2 t30 -107.88 -15.78 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.02 3.06 36.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mt -78.89 173.77 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -50.47 169.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.524 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 25.5 t -107.19 -0.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -94.67 165.36 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 94' ' ' LEU . 4.4 mt -57.27 -18.98 19.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -7.18 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.172 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -95.5 -21.46 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 91' ' ' LEU . 9.0 mt -77.42 -179.19 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 p 72.45 11.3 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 93' ' ' SER . 2.1 mt -114.05 -162.39 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.36 55.48 2.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 81' ' ' ALA . 1.3 p -56.51 132.39 77.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.48 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.4 Cg_endo -75.0 175.08 11.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 140.99 26.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.56 1.821 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.556 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.06 -164.29 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.83 -30.26 12.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 30.2 m-85 -38.46 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -67.03 142.99 57.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.241 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 74' ' ' PHE . 2.7 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 14' ' ' SER . 20.4 m -58.28 -47.43 83.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -32.95 58.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.84 -43.72 28.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.43 56.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 57.66 16.44 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.98 51.18 5.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.415 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 39.3 t-20 -83.57 120.53 75.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -74.99 -14.85 21.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.793 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.415 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 10.2 p -43.38 -36.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.806 ' HH ' ' NE ' ' A' ' 78' ' ' ARG . 5.8 m-85 -67.0 -42.17 85.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -48.69 -36.74 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -65.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 11.7 m-85 -56.61 -45.32 81.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 3.3 t80 -54.76 -28.74 50.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -86.41 -22.4 26.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -31.3 71.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -88.27 -30.9 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -48.96 144.21 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.245 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.15 168.15 20.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.44 171.88 1.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -92.35 22.32 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 t -74.14 -30.12 62.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.28 7.48 82.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -123.97 171.5 9.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.534 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 71.4 t -85.23 118.71 32.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 2.0 mt -63.01 -10.96 15.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 80.6 -55.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -44.5 -50.36 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -66.81 -37.15 83.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.482 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -50.52 -46.9 57.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -64.47 -29.33 70.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -60.42 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 52.5 t80 -66.26 -49.82 65.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.8 mt -49.38 -45.96 46.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -53.8 -23.06 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.532 ' HB3' ' CD2' ' A' ' 104' ' ' HIS . 23.1 mttm -76.59 -1.34 27.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -60.08 -70.12 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.59 -23.52 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.45 HD23 ' CB ' ' A' ' 83' ' ' ALA . 44.1 mt -73.29 159.72 84.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.492 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.03 -168.35 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.63 -36.0 19.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.501 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.41 -67.52 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 8.8 mm -52.32 -37.24 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 12.0 mt -60.62 -51.88 67.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.93 -44.58 2.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -44.59 95.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 29.9 mt -53.71 -55.32 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ALA . 5.9 t-105 -55.08 -56.81 15.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.2 -40.5 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -75.98 -32.1 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.25 -61.65 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.1 t70 -38.97 126.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -174.26 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.97 -63.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.04 -130.94 5.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.35 -49.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . -110.04 12.04 31.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.445 1.091 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 41.5 t -142.23 145.83 23.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.482 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 35.4 mt -101.55 -167.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.66 174.71 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -46.77 -90.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -38.44 -53.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.76 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 48.4 t80 -53.35 -33.47 53.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.0 m-85 -67.12 -20.73 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 77' ' ' LEU . 1.7 t -84.72 -65.64 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.475 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -43.47 -28.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.695 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -62.46 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.806 ' NE ' ' HH ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -53.11 -22.34 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.436 ' HA ' ' CD1' ' A' ' 94' ' ' LEU . 1.2 tt -60.54 -40.24 90.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.446 ' CG1' HD11 ' A' ' 48' ' ' LEU . 56.0 t -56.12 -43.06 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 101' ' ' PRO . . . -56.53 -18.26 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.0 t -72.41 -68.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.45 ' CB ' HD23 ' A' ' 48' ' ' LEU . . . -58.49 -23.37 57.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -53.45 -28.58 31.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.65 -18.62 17.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.41 11.09 20.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.82 179.47 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.405 ' HB3' ' CB ' ' A' ' 93' ' ' SER . 3.7 tt0 -57.82 170.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.519 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 3.2 t -116.04 -3.75 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 47.9 m -94.48 151.58 19.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.44 -21.33 59.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -61.63 -13.77 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.025 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -128.3 32.31 4.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -110.19 -177.83 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 p 65.92 37.45 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.962 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 mt -106.73 -156.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.4 58.75 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.0 m -75.86 157.19 84.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.33 12.96 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.81 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.88 3.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.48 ' HG3' ' CB ' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 150.99 38.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.615 ' O ' ' CD2' ' A' ' 103' ' ' PHE . 3.6 mmt180 -99.3 167.62 10.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.695 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 51.1 m-85 -168.79 179.29 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CD2' ' HB3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -82.06 169.33 16.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.617 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.42 HD23 ' CD1' ' A' ' 74' ' ' PHE . 26.0 mt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 14' ' ' SER . 1.0 OUTLIER -47.81 -53.66 14.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -31.7 58.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -49.3 -42.86 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.2 56.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 58.09 16.3 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.475 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.49 34.1 57.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.447 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 9.3 t-20 -52.92 113.62 4.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.06 18.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 7.4 p -47.64 -48.66 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.689 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -67.09 -34.55 77.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -43.4 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -45.47 -45.03 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 96.9 m-85 -69.13 -45.53 69.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CE2' ' CG2' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -54.53 -32.93 59.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' NH2' ' O ' ' A' ' 29' ' ' GLY . 1.7 tpm_? -71.59 -33.74 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -61.77 -33.78 74.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.509 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -87.71 -40.14 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.3 tt0 -60.61 141.12 57.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 35' ' ' LEU . . . -106.33 160.52 15.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.411 ' O ' ' NH2' ' A' ' 24' ' ' ARG . . . 54.62 171.56 0.06 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.12 32.14 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 0.808 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.2 p -86.45 -32.65 20.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.48 29.71 8.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -124.48 130.8 53.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.586 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 41.3 t -81.82 114.28 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 28' ' ' ALA . 1.3 mt -60.72 -11.98 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ALA . . . 79.62 -54.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.6 -51.13 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -66.7 -37.39 84.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.493 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -51.19 -48.11 62.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -26.69 68.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.18 42.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.473 ' CB ' HG13 ' A' ' 26' ' ' VAL . 14.2 t80 -64.57 -42.1 95.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 46' ' ' SER . 72.8 mt -50.85 -47.35 60.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -51.44 -21.5 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -80.36 13.25 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . 60.6 p -89.46 -72.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.449 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.47 -32.84 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.69 161.17 73.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.494 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.0 -171.63 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -89.91 -24.29 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -79.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 mm -47.85 -35.74 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 7.3 mt -59.5 -49.93 75.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.88 -38.54 5.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -65.25 -41.76 93.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 0.727 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.483 HG13 ' CG1' ' A' ' 89' ' ' VAL . 28.0 mt -57.23 -55.76 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' ALA . 18.2 t-105 -55.01 -53.95 49.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 108.021 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -44.93 -42.94 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.434 ' CD1' ' HG ' ' A' ' 91' ' ' LEU . 1.8 tm? -78.58 -29.31 46.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -69.96 -66.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 32.3 t70 -37.8 128.04 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -156.05 -44.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -45.66 92.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.97 69.13 1.42 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' CD ' ' HB ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -164.55 30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . 44.96 27.09 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.532 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 80.7 t -136.84 143.2 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.493 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 22.8 mt -98.86 174.12 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.3 170.68 14.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -46.49 -87.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.07 -57.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.55 -73.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -49.53 -36.28 22.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.689 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -71.63 -19.39 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -82.38 -56.55 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.8 -48.31 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.568 HD21 ' CE2' ' A' ' 103' ' ' PHE . 2.6 mt -47.13 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.465 ' NE ' ' OH ' ' A' ' 19' ' ' TYR . 1.5 mmp_? -55.43 -31.41 61.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.1 -42.18 76.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.3 t -56.26 -38.95 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.35 -15.32 57.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.9 -72.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.02 -25.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.69 -22.5 46.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -100.86 -25.26 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.72 8.43 15.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 mt -77.63 160.61 28.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.68 161.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.483 ' CG1' HG13 ' A' ' 56' ' ' ILE . 38.7 t -99.57 1.71 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -94.39 165.13 12.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.434 ' HG ' ' CD1' ' A' ' 59' ' ' LEU . 4.7 mt -56.91 -18.89 14.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.46 -8.64 27.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 58.9 p -98.66 -15.24 19.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 mt -86.82 179.56 6.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.7 p 75.5 4.03 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -109.9 -167.03 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.62 71.84 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.6 m -73.11 151.63 90.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.24 13.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.96 30.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.558 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.98 -163.69 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.74 -30.89 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.568 ' CE2' HD21 ' A' ' 77' ' ' LEU . 28.4 m-85 -39.11 161.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -68.88 172.12 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.577 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.645 ' CD2' ' CG ' ' A' ' 74' ' ' PHE . 3.9 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 14' ' ' SER . 10.2 m -48.53 -48.36 38.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -34.06 59.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -46.49 -44.33 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.22 57.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 58.42 15.71 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 75.43 32.17 55.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -50.23 118.42 9.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.759 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -75.04 -23.8 13.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -41.83 -50.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CZ ' ' NH1' ' A' ' 78' ' ' ARG . 4.5 m-85 -65.32 -34.42 78.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -55.23 -35.18 64.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -43.66 84.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -74.69 -47.18 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 t80 -54.59 -22.01 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -23.17 19.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.48 -38.53 87.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -76.03 -42.5 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.07 143.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.92 132.4 55.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 -169.91 44.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.03 46.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 p -105.35 -20.02 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.407 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.57 4.51 85.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -101.71 130.5 48.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.566 HG22 ' CE2' ' A' ' 23' ' ' TYR . 92.6 t -84.61 106.93 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.2 mt -55.83 -17.16 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.36 -51.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ALA . 2.3 mp -40.06 -49.8 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -67.25 -42.04 84.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.518 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -46.54 -51.78 14.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.19 68.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -66.22 -52.85 43.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -64.98 -37.52 87.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' SER . 54.2 mt -55.91 -49.66 72.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -48.25 -23.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -81.48 23.75 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.484 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 84.8 p -92.78 -77.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 161.08 -28.47 0.3 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.454 HD11 ' CG1' ' A' ' 80' ' ' VAL . 12.9 mt -67.31 161.65 62.41 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.431 0.724 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.54 -35.93 63.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.8 -62.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.446 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.7 mm -56.68 -35.79 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.5 mt -62.1 -51.52 67.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.48 -37.94 3.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -41.03 91.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' ALA . 36.7 mt -56.89 -56.46 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' ALA . 16.3 t-105 -55.61 -55.96 25.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -47.91 -31.49 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.4 HD21 ' O ' ' A' ' 59' ' ' LEU . 2.3 tm? -86.93 -29.35 22.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -75.7 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 60' ' ' ALA . 33.5 t70 -37.41 125.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -153.02 -44.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -61.55 -44.15 97.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.8 177.37 22.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt 74.69 -62.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 153.03 -50.14 0.51 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 19.2 t -39.47 150.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.518 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 82.8 mt -101.83 163.27 12.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -109.31 -161.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -68.81 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 75' ' ' VAL . 2.6 mm-40 -45.43 -34.07 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.01 -71.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 8.1 t80 -57.44 -48.61 78.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.645 ' CG ' ' CD2' ' A' ' 9' ' ' LEU . 1.7 m-85 -54.44 -25.94 27.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -75.48 -58.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -46.37 -27.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 73' ' ' PHE . 1.9 mt -63.38 -77.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.646 ' NH1' ' CZ ' ' A' ' 19' ' ' TYR . 7.3 mmp_? -49.67 -38.41 32.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.37 -50.81 16.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.492 ' O ' ' CG ' ' A' ' 84' ' ' GLN . 10.3 t -61.76 -45.64 98.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.11 -27.02 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.4 t -74.69 -63.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 108.302 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.84 -18.46 44.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 1.9 mm-40 -60.39 -13.86 15.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.3 t-20 -99.88 -10.56 21.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.7 4.24 49.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.81 174.31 11.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.485 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -43.83 166.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.3 t -115.02 -10.17 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.471 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -94.67 154.58 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 mt -65.76 -24.81 67.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -56.41 -17.63 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.485 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -124.22 30.44 6.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 90' ' ' SER . 3.4 mm? -102.18 -175.74 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 p 73.05 34.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -116.87 -159.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.96 55.68 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.95 118.77 28.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.466 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.04 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.5 Cg_endo -74.93 139.2 24.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.575 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.05 -164.39 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.85 -30.25 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 30.2 m-85 -38.6 161.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -70.42 174.0 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.57 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.488 HD21 ' CG ' ' A' ' 74' ' ' PHE . 6.1 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLY . 24.9 m -54.99 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -34.58 72.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.5 -42.58 7.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.416 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -165.15 61.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 41.96 28.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.82 48.82 39.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 13' ' ' SER . 18.3 t-20 -85.14 115.59 61.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.19 9.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -58.86 -39.78 78.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.855 ' HH ' ' CZ ' ' A' ' 78' ' ' ARG . 14.2 m-85 -66.18 -33.38 75.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -33.76 58.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' NZ ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -62.22 -37.84 86.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' OH ' ' CB ' ' A' ' 105' ' ' ASP . 22.2 m-85 -78.61 -47.5 17.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 1.2 t80 -54.24 -24.3 18.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.57 -22.29 18.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.73 -37.06 82.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -81.52 -26.03 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.0 143.29 8.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.44 145.51 47.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.01 -174.8 55.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.44 41.91 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.0 p -104.77 -26.08 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.89 31.79 19.76 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 mtt85 -125.67 137.66 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.536 HG22 ' CE2' ' A' ' 23' ' ' TYR . 69.5 t -81.9 103.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.1 mt -53.39 -17.74 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 86.49 -54.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mp -42.6 -54.34 4.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.5 m-20 -58.27 -42.97 87.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.592 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -47.47 -52.19 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.13 49.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -71.0 -55.35 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -58.72 -34.44 71.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' SER . 80.3 mt -68.66 -45.45 71.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -53.09 -19.49 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -75.65 -1.04 22.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 45.0 p -67.95 -56.58 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.98 -33.43 2.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 6.2 mp -63.79 165.23 13.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.9 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.0 -25.66 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -60.33 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.476 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.5 mm -54.97 -35.97 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 56' ' ' ILE . 7.9 mt -63.77 -47.93 79.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.93 -43.11 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -42.4 98.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.476 HG12 ' CD2' ' A' ' 79' ' ' LEU . 15.2 mt -57.39 -58.0 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ALA . 33.5 t-105 -56.3 -53.58 55.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -43.45 -50.05 7.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -74.86 -27.46 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -63.04 -58.86 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ALA . 36.4 t70 -38.63 126.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -152.14 -45.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.45 -51.94 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.85 66.74 0.84 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.44 -60.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' VAL . . . 157.93 -64.26 0.3 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 42.5 t -40.29 146.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.592 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 23.3 mt -100.75 169.22 9.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 m -125.91 -174.73 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 2.8 mtmm -55.11 -88.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -42.78 -50.99 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.43 -72.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.4 t80 -56.91 -43.44 81.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.603 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -59.96 -17.04 35.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -88.89 -54.46 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.95 -28.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.522 HD21 ' CE2' ' A' ' 103' ' ' PHE . 2.5 mt -60.91 -77.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.855 ' CZ ' ' HH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -49.94 -38.15 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -46.36 -48.48 18.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.443 ' O ' ' CG ' ' A' ' 84' ' ' GLN . 86.8 t -61.59 -40.88 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.65 -19.41 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -69.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.92 -22.59 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.454 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.0 mm-40 -54.64 -29.28 51.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -100.89 -17.43 16.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.56 10.34 10.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.1 mt -77.4 153.96 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -44.09 167.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 56' ' ' ILE . 4.1 t -110.28 -5.9 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m -95.0 155.81 16.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 mt -62.57 -21.71 65.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.6 m -57.74 -16.54 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.45 ' CB ' ' HB3' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -122.33 28.27 7.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.404 ' O ' ' CB ' ' A' ' 95' ' ' SER . 4.2 mm? -109.92 -175.33 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 3.7 p 77.95 21.7 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.7 -164.31 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.5 63.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.437 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 3.1 m -47.6 147.36 3.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.04 176.28 10.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.4 Cg_endo -74.99 128.44 11.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.552 ' CG ' ' NH2' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.11 -30.38 12.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.6 m-85 -42.03 167.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -65.46 172.81 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.601 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.427 ' CB ' ' OH ' ' A' ' 22' ' ' TYR . 1.1 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 70' ' ' LYS . 4.1 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.507 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -56.43 -40.6 75.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -77.0 -37.82 54.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -45.15 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.45 58.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 55.57 21.28 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.507 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 70.06 51.34 23.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.495 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 37.7 t-20 -75.82 126.63 86.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.25 9.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.495 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 9.1 p -59.96 -46.05 94.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.0 m-30 -66.63 -33.63 76.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -35.43 68.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.568 ' HG2' ' CD2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -58.17 -44.0 87.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 97.9 m-85 -74.88 -50.45 16.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -50.39 -23.56 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -25.37 19.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.2 mt-30 -61.68 -39.9 93.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -76.52 -41.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.19 140.91 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.71 143.9 49.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.53 -171.08 47.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -122.22 49.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -107.55 -28.92 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.97 27.81 17.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -129.12 143.34 50.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 0.8 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 59.9 t -86.38 115.85 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 2.1 mt -64.9 -10.55 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 39' ' ' ALA . . . 77.96 -55.22 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -41.6 -42.72 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -74.54 -40.68 61.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.493 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -51.21 -43.97 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.43 -28.25 65.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.47 -46.61 69.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -64.77 -34.9 79.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 46' ' ' SER . 72.1 mt -59.09 -48.17 82.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' A' ' 46' ' ' SER . 3.2 mmmt -51.02 -21.27 1.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -80.45 15.17 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' LEU . 49.0 p -93.53 -67.14 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 149.84 -34.61 1.03 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 5.0 mt -58.75 162.54 6.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -85.66 -36.48 20.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.26 -51.14 71.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.516 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 2.7 mm -63.0 -35.81 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ILE . 2.9 mt -64.98 -52.46 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.1 -48.31 2.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -58.25 -47.33 83.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.762 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.488 HG13 ' CG1' ' A' ' 89' ' ' VAL . 60.3 mt -53.74 -54.88 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ALA . 23.4 t-105 -55.31 -57.88 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -46.57 -38.77 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -76.66 -32.12 57.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -67.24 -55.76 12.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -37.62 130.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -172.81 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.366 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.61 -66.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.28 128.33 1.83 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.4 151.25 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 67' ' ' VAL . . . 88.9 -7.46 82.05 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 65.6 t -156.52 143.85 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.493 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 26.0 mt -99.62 177.5 5.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.3 m -134.08 -167.95 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -62.77 -95.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.38 -47.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 60' ' ' ALA . 1.1 mt-10 -40.43 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.7 t80 -58.43 -42.77 88.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.632 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.2 m-85 -63.98 -11.28 27.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.1 t -95.18 -58.41 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.8 -24.59 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -71.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.492 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.1 mmp_? -59.49 -34.94 73.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.63 -38.51 60.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.43 ' CG1' HD13 ' A' ' 48' ' ' LEU . 54.8 t -61.3 -38.4 79.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -10.86 48.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.6 t -74.71 -66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.29 -19.2 44.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.457 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.4 mm-40 -62.4 -27.79 69.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 37.8 t30 -99.87 -12.42 19.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.79 8.46 42.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.406 ' CD1' HG13 ' A' ' 98' ' ' VAL . 9.1 mt -77.92 172.67 13.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.747 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.508 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -49.36 170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.488 ' CG1' HG13 ' A' ' 56' ' ' ILE . 3.4 t -112.02 -15.38 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.416 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 5.8 m -94.7 150.85 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 5.4 mt -57.59 -23.15 49.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m -52.12 -20.71 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.508 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -124.4 35.66 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 91' ' ' LEU . 4.4 mm? -111.3 -178.94 3.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p 74.56 34.21 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.16 -162.46 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.77 74.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 87' ' ' LEU . 19.9 m -84.39 156.82 62.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.468 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.4 Cg_endo -75.0 174.26 13.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 144.73 30.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.53 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.98 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.64 -31.05 11.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.3 m-85 -39.41 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -74.6 172.11 12.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.591 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' SER . 71.1 p -47.36 -55.66 8.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -32.29 59.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -42.9 38.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.4 57.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 57.27 16.88 3.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.49 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.67 36.2 53.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.438 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 7.7 t-20 -58.12 110.43 2.55 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.98 -19.04 18.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.438 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 5.6 p -44.07 -41.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.676 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -67.21 -39.07 86.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -50.47 -37.74 40.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.517 ' HG3' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -51.55 -40.08 59.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 12.4 m-85 -74.56 -43.53 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -54.59 -34.27 61.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.63 -26.33 41.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -37.9 89.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.553 HG11 ' CD2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -78.14 -30.47 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' N ' HG21 ' A' ' 26' ' ' VAL . 4.7 tt0 -47.23 129.61 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.46 167.43 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 173.91 23.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -95.93 32.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 t -95.18 -32.89 12.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.24 7.15 80.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -113.7 171.87 7.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.27 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.538 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 5.7 t -89.43 110.14 21.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.6 mt -62.15 -11.64 15.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 83.8 -55.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -44.87 -42.11 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -72.31 -36.16 68.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.478 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -52.44 -53.52 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.36 -25.61 68.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.93 61.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 20.2 t80 -71.08 -28.21 64.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' CD2' HD22 ' A' ' 77' ' ' LEU . 71.0 mt -70.17 -46.0 65.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.55 -21.24 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -73.82 -2.67 24.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 97.1 p -68.76 -75.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.05 -24.13 0.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.423 ' CD2' ' HB1' ' A' ' 83' ' ' ALA . 9.1 mt -62.6 164.63 11.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.753 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -166.48 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.06 -35.81 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.503 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.05 -52.86 63.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.503 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.6 mt -66.12 -33.29 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.24 -46.64 79.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.93 -41.66 28.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' CB ' HG13 ' A' ' 89' ' ' VAL . 11.0 mttm -61.6 -42.59 99.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.476 HG13 ' CG1' ' A' ' 89' ' ' VAL . 53.4 mt -57.03 -58.49 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' ALA . 31.5 t-105 -55.18 -50.69 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -42.4 -49.34 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -78.76 -26.98 44.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -61.67 -58.18 9.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ALA . 10.1 t0 -38.42 127.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -161.63 -42.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -53.99 18.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.58 64.68 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt 173.05 -41.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 139.31 -54.6 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 39.7 t -43.73 146.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.478 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 27.2 mt -99.94 168.71 9.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -121.29 -160.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.961 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -73.74 -81.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -48.06 -52.86 18.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -40.05 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 2.2 t80 -54.11 -35.82 62.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.676 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 1.3 m-85 -73.48 -11.66 60.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -90.72 -59.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -51.05 -41.35 59.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.529 HD21 ' CE2' ' A' ' 103' ' ' PHE . 3.0 mt -52.86 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.645 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -51.63 -35.5 42.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 82' ' ' CYS . 1.2 tt -51.26 -44.4 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 84' ' ' GLN . 53.1 t -50.41 -49.63 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.94 -21.18 10.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.7 t -71.73 -73.37 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 108.261 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HB1' ' CD2' ' A' ' 48' ' ' LEU . . . -52.41 -22.23 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -61.12 -23.93 65.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -112.69 19.39 17.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.34 15.11 77.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 25.5 mt -77.97 168.54 19.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.506 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -50.26 168.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.476 ' CG1' HG13 ' A' ' 56' ' ' ILE . 3.4 t -112.9 -13.69 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.1 m -94.73 149.83 20.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.37 -24.6 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.8 t -51.98 -23.1 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.506 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -118.72 32.17 6.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.048 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' N ' HD21 ' A' ' 94' ' ' LEU . 4.2 mm? -109.27 -179.1 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.4 p 73.37 31.33 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.33 -164.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.76 57.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.2 m -68.07 157.48 86.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.05 13.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.52 31.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.503 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.02 -163.01 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.72 -30.96 11.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.2 m-85 -39.42 161.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.8 140.56 58.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.451 HD23 ' CG ' ' A' ' 74' ' ' PHE . 7.0 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' GLY . 4.8 m -47.77 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.09 -31.49 67.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -15.0 18.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.576 ' OG ' ' CE1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -148.52 24.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 51.98 20.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 96.08 51.94 1.69 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.495 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 6.0 t-20 -129.2 102.36 18.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.99 -13.02 21.56 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -42.76 -29.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.627 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.6 m-85 -66.72 -45.93 77.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -49.94 -32.4 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -59.03 -45.79 89.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.42 -46.99 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.2 t80 -54.05 -23.61 14.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.14 -22.36 19.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.27 -36.44 82.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -75.8 -33.7 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' N ' HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -38.45 148.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.73 129.01 50.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.48 -171.29 54.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -105.61 38.55 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.3 t -91.11 -22.25 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.31 -0.95 83.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -108.37 142.94 37.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 110.25 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.531 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 95.3 t -82.79 115.57 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.7 mt -61.26 -12.53 13.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.96 -56.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -41.74 -44.2 3.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -69.04 -42.86 75.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -49.69 -43.91 47.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.57 68.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -70.72 -49.35 47.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -63.84 -39.54 94.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' SER . 64.5 mt -55.95 -47.95 76.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.45 ' C ' ' H ' ' A' ' 46' ' ' SER . 8.6 mmtt -46.76 -24.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 43' ' ' LEU . 14.4 mttm -81.17 25.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' LEU . 56.5 p -96.25 -71.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 148.96 -23.55 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.407 ' CD1' HG12 ' A' ' 80' ' ' VAL . 13.6 mt -72.74 160.8 81.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.78 12.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.784 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -75.36 -33.49 61.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.61 -62.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.474 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.7 mm -55.6 -36.86 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.0 mt -61.37 -52.97 62.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.02 -44.47 2.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -60.61 -47.13 87.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.464 HG13 ' CG1' ' A' ' 89' ' ' VAL . 14.9 mt -52.92 -56.16 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' ALA . 21.6 t-105 -55.49 -56.49 19.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 107.966 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.51 -46.14 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD1' ' HG ' ' A' ' 91' ' ' LEU . 1.7 tm? -72.77 -31.57 64.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -68.87 -67.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' ALA . 19.9 t70 -38.23 126.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.4 m -160.15 -44.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -48.87 -49.37 39.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.77 -56.03 0.71 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 142.25 33.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' VAL . . . -40.16 -46.53 3.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.531 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 36.2 t -40.15 146.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.423 ' N ' HG11 ' A' ' 67' ' ' VAL . 29.7 mt -100.38 -179.2 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.86 162.05 35.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.39 -86.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.429 ' N ' HD22 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -42.36 -53.33 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -40.02 -72.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.5 t80 -51.54 -43.29 62.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.627 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -57.53 -33.33 67.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 t -71.65 -53.08 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.06 20.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.29 -72.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.501 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -53.8 -41.91 67.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.439 ' CD2' HG12 ' A' ' 56' ' ' ILE . 1.1 tt -42.54 -43.47 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.407 HG12 ' CD1' ' A' ' 48' ' ' LEU . 41.7 t -59.85 -50.74 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.45 -21.56 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -67.28 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.96 50.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -7.34 35.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 5.6 t30 -112.93 -31.04 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.47 2.2 7.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.19 145.52 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.92 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 56' ' ' ILE . 12.0 t -94.78 -2.7 10.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 m -94.53 160.26 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 59' ' ' LEU . 5.5 mt -55.4 -21.97 17.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.63 -22.09 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.4 ' O ' ' SG ' ' A' ' 82' ' ' CYS . 0.6 OUTLIER -116.02 29.52 7.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.415 HD21 ' N ' ' A' ' 94' ' ' LEU . 4.6 mm? -117.15 177.51 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER 78.58 10.97 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.937 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -166.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.73 57.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.475 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 8.6 m -40.4 151.1 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.45 ' HB2' ' HD2' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -74.97 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.3 Cg_endo -74.96 129.13 12.08 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.416 1.746 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.98 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.04 -30.1 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 34.5 m-85 -38.61 161.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 105' ' ' ASP . 79.3 t60 -69.96 170.9 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.657 ' CD2' ' CD1' ' A' ' 74' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.1 m -46.71 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -30.09 63.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -58.43 -15.74 12.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.505 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -148.06 25.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.81 18.14 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 92.86 49.37 2.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.505 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 7.6 t-20 -110.67 100.66 46.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.1 Cg_endo -75.04 -16.98 19.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG13 ' ND2' ' A' ' 16' ' ' ASN . 8.2 p -42.67 -37.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.88 ' HH ' ' NH2' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -65.43 -44.16 88.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -45.5 -34.9 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -44.29 95.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.602 ' HH ' ' CB ' ' A' ' 104' ' ' HIS . 22.6 m-85 -75.27 -41.85 56.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 13.3 t80 -54.01 -34.1 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -80.26 -27.72 38.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.06 77.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -84.19 -41.29 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -38.83 115.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.9 113.35 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.59 -166.15 1.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -92.64 34.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -62.27 -43.22 99.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.63 0.8 30.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.81 141.66 46.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.504 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 11.2 t -83.65 105.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -57.69 -15.65 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.98 -51.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' ALA . 4.1 mm? -38.5 -47.07 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -71.7 -44.7 63.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -46.28 -48.47 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.42 72.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -65.84 -54.13 30.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 4.8 t80 -59.1 -46.07 89.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 46' ' ' SER . 33.8 mt -48.23 -48.64 34.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.455 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -48.3 -22.9 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -81.12 26.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 44' ' ' LYS . 60.0 p -97.07 -73.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 158.97 -34.81 0.49 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.458 HD11 ' CG1' ' A' ' 80' ' ' VAL . 7.8 mt -57.96 163.49 4.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.87 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.39 -37.62 11.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.553 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.9 -53.09 61.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.553 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.8 mm -63.68 -34.59 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.5 mt -64.87 -50.04 68.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.5 -42.94 4.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' CB ' HG13 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -65.78 -41.06 92.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.482 HG13 ' CG1' ' A' ' 89' ' ' VAL . 2.8 mt -57.37 -56.25 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' ALA . 43.6 t-105 -55.74 -54.72 40.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -43.81 -47.56 8.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.97 -35.82 82.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.77 -61.29 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' ALA . 43.0 t0 -36.61 126.05 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -161.16 -43.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -48.72 -56.95 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.75 65.28 0.67 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 pttt 179.77 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 67' ' ' VAL . . . 132.42 -56.87 0.73 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 18.3 t -39.36 152.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.453 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 23.7 mt -99.31 164.91 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -108.11 -148.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 5.0 mttt -88.04 -97.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 75' ' ' VAL . 51.0 mt-30 -45.27 -29.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.05 -71.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 2.6 t80 -48.93 -45.66 41.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CD1' ' CD2' ' A' ' 9' ' ' LEU . 2.0 m-85 -63.6 -24.19 67.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 76' ' ' ALA . 1.2 t -74.87 -57.49 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.417 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -49.41 -46.79 47.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 103' ' ' PHE . 2.8 mt -49.37 -70.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.88 ' NH2' ' HH ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -51.98 -34.96 44.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 82' ' ' CYS . 2.2 tt -52.83 -41.23 64.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.491 ' O ' ' CG ' ' A' ' 84' ' ' GLN . 77.5 t -53.43 -48.8 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.89 -20.13 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.4 t -73.56 -74.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.81 -21.83 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -59.45 -27.26 65.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 3.0 t-20 -108.28 16.59 23.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.55 17.0 79.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.6 mt -78.47 174.15 11.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 0.796 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.544 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -57.45 166.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.482 ' CG1' HG13 ' A' ' 56' ' ' ILE . 21.7 t -108.48 -15.18 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.444 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 66.2 m -94.83 150.05 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.0 -24.92 64.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 m -51.55 -21.49 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.544 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -120.24 33.41 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 90' ' ' SER . 4.5 mm? -113.67 -179.97 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.3 p 78.18 25.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.04 -162.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.79 65.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.0 m -74.51 156.89 86.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.434 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.03 174.17 13.24 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.74 31.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.576 1.829 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.99 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.782 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -101.7 -30.96 11.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.579 ' CE2' HD21 ' A' ' 77' ' ' LEU . 27.2 m-85 -38.92 161.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.602 ' CB ' ' HH ' ' A' ' 22' ' ' TYR . 1.5 m170 -66.09 167.21 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 21.4 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLY . 6.0 m -47.12 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -32.14 66.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -14.88 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.479 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.51 30.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 45.5 25.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.016 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 91.53 57.18 1.57 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 8.2 t-20 -130.91 95.18 26.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -74.98 -8.38 20.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG13 ' ND2' ' A' ' 16' ' ' ASN . 7.7 p -41.42 -35.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.802 ' HH ' ' NH2' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -65.99 -45.86 80.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 111.024 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -43.54 -38.3 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.66 -42.69 68.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 14.0 m-85 -73.35 -41.79 63.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.652 ' CE2' ' CG2' ' A' ' 34' ' ' VAL . 1.1 t80 -53.96 -38.99 65.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -33.28 71.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -61.74 -40.54 95.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -83.64 -19.72 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.7 tt0 -62.4 141.03 58.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.51 ' CB ' ' CD1' ' A' ' 35' ' ' LEU . . . -119.97 164.92 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.9 -169.13 46.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.67 27.26 7.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 33' ' ' ARG . 4.3 t -98.83 -25.9 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.82 12.41 40.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HB2' ' CG2' ' A' ' 31' ' ' THR . 8.1 mtp180 -99.68 147.47 25.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 0.762 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.652 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 3.1 t -88.15 116.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' A' ' 28' ' ' ALA . 1.7 mt -61.12 -11.95 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 39' ' ' ALA . . . 75.79 -56.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.82 -51.24 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -60.73 -35.33 76.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' CB ' HD13 ' A' ' 68' ' ' LEU . . . -57.17 -50.4 72.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.57 54.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.05 -53.84 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 6.1 t80 -59.93 -36.73 77.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' SER . 57.6 mt -55.47 -47.07 76.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -51.19 -20.83 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.2 mttm -80.22 13.7 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LEU . 57.8 p -89.27 -71.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 152.36 -26.17 0.87 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.474 HD11 ' CG1' ' A' ' 80' ' ' VAL . 10.4 mt -68.17 162.51 59.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -171.67 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.52 -37.84 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.541 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -58.97 -51.8 68.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.541 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 2.3 mm -63.75 -35.46 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.3 mt -63.19 -54.14 42.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.12 -42.37 2.33 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.454 1.097 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HB2' ' CG1' ' A' ' 89' ' ' VAL . 1.9 mmtt -60.12 -46.3 90.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.485 HG13 ' CG1' ' A' ' 89' ' ' VAL . 24.0 mt -53.54 -57.29 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' ALA . 11.8 t-105 -55.11 -55.47 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.08 -30.51 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 79' ' ' LEU . 1.4 tm? -87.94 -28.89 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -76.08 -62.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' ALA . 2.0 t70 -38.32 126.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -163.1 -42.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -49.47 -53.28 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.37 65.13 0.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 178.36 173.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . -91.53 29.36 7.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.543 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 57.4 t -133.33 144.06 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.483 HD13 ' CB ' ' A' ' 39' ' ' ALA . 21.9 mt -99.46 171.78 7.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -115.86 -152.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -87.23 -80.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.41 ' N ' HD22 ' A' ' 9' ' ' LEU . 28.6 mt-30 -51.26 -27.7 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -75.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 8.2 t80 -50.56 -26.1 4.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.662 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -76.45 -28.58 56.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.68 -54.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.34 -52.73 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.568 HD21 ' CE2' ' A' ' 103' ' ' PHE . 3.3 mt -46.68 -67.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.802 ' NH2' ' HH ' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -52.68 -29.53 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.448 ' CD1' HD13 ' A' ' 59' ' ' LEU . 1.1 tt -58.1 -42.41 85.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.474 ' CG1' HD11 ' A' ' 48' ' ' LEU . 71.6 t -53.75 -41.07 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.13 -23.56 55.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.49 -63.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.93 -21.92 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -69.04 -17.14 63.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.6 t30 -100.85 -15.09 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.56 6.16 53.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.72 166.86 22.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.62 165.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.485 ' CG1' HG13 ' A' ' 56' ' ' ILE . 33.4 t -99.89 -5.54 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 m -94.59 152.39 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.88 -22.33 62.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -17.44 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.512 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 82.8 p -106.76 -15.03 14.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 95' ' ' SER . 2.2 mm? -73.63 -178.91 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.9 t 86.42 20.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -118.15 -164.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.39 58.24 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 m -53.82 143.13 41.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.464 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -75.0 174.51 12.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 145.31 31.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.574 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.03 -164.69 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.67 -30.22 12.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 30.3 m-85 -38.73 161.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.407 ' CD2' ' H ' ' A' ' 105' ' ' ASP . 6.2 t-160 -66.21 173.81 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' H ' ' CD2' ' A' ' 104' ' ' HIS . 1.3 t0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.575 HD23 ' CD1' ' A' ' 74' ' ' PHE . 4.9 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.1 m -47.48 -61.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.5 -31.4 63.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.72 -44.21 48.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.51 57.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 58.1 16.39 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 71.43 41.07 59.12 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.402 ' ND2' HG13 ' A' ' 18' ' ' VAL . 4.2 t-20 -62.87 124.58 84.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.784 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.97 -23.01 14.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.402 HG13 ' ND2' ' A' ' 16' ' ' ASN . 2.6 p -40.35 -49.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 29.0 m-85 -66.27 -36.67 83.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -52.73 -39.36 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -62.81 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -58.11 -47.58 82.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -54.14 -26.63 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -31.87 59.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -33.36 74.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.417 HG22 ' CG1' ' A' ' 34' ' ' VAL . 0.8 OUTLIER -88.14 -13.29 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -77.93 121.76 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.21 99.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.31 -165.34 31.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -92.56 34.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.7 p -64.67 -48.78 73.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.76 -10.31 14.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -119.09 132.93 56.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.522 HG22 ' CE2' ' A' ' 23' ' ' TYR . 51.7 t -82.21 114.21 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -56.95 -16.13 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.54 -52.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.55 -53.7 5.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -59.64 -34.69 73.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 36' ' ' ALA . . . -49.51 -57.0 7.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.89 -25.83 57.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.43 -56.42 8.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.507 ' O ' ' CG ' ' A' ' 45' ' ' LYS . 2.1 t80 -63.15 -40.68 98.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.8 mt -48.11 -46.14 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -25.04 2.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 4.0 mmmt -62.52 -14.09 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.427 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 97.3 p -69.74 -76.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.67 -17.73 1.45 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.451 ' CD1' HG11 ' A' ' 80' ' ' VAL . 12.1 mt -68.9 162.98 60.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.97 23.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.9 -33.55 45.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.437 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.55 -65.45 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.424 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -52.86 -37.24 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 6.3 mt -62.36 -50.78 70.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.51 -44.32 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -47.11 87.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CG1' HD21 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -56.47 -53.89 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.44 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.7 t90 -55.3 -55.6 29.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -39.51 29.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -76.42 -27.41 56.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -79.22 -69.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' TRP . 2.7 t70 -39.83 146.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 2.5 m -164.86 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.367 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.55 -50.97 71.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.59 -174.84 15.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tttt 71.56 -61.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 157.35 -54.53 0.39 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 21.2 t -39.21 149.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 87.6 mt -100.18 174.31 6.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -168.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -82.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 1.0 OUTLIER -53.84 -34.2 58.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 3.3 mt-10 -46.87 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 2.0 t80 -52.69 -46.1 67.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.5 m-85 -57.92 -27.9 63.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.0 t -77.6 -59.76 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.77 -27.41 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.541 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 1.2 mt -65.88 -75.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.429 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -51.11 -28.64 11.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.465 HD21 ' CG1' ' A' ' 56' ' ' ILE . 1.1 tt -55.37 -46.72 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.451 HG11 ' CD1' ' A' ' 48' ' ' LEU . 8.6 t -52.49 -40.91 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.98 -16.96 20.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -80.16 -65.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.06 -23.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.68 -26.31 68.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.469 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 17.6 t-20 -100.84 10.64 40.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.14 14.15 80.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.9 mt -77.75 159.67 28.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' OG ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -42.04 164.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 56' ' ' ILE . 16.8 t -105.52 2.1 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -94.12 164.29 13.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.443 ' HG ' ' CD1' ' A' ' 59' ' ' LEU . 4.8 mt -59.69 -22.46 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 t -68.07 -6.08 20.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.475 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -97.55 -11.3 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 95' ' ' SER . 10.3 mt -92.12 178.44 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.3 p 79.3 10.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -112.84 -168.17 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.6 61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 m -67.22 154.67 92.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.469 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -75.04 174.54 12.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 147.69 34.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.491 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.01 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -99.46 -30.82 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.541 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.6 m-85 -39.03 161.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.81 166.14 11.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.8 m -56.36 -64.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -30.22 65.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -21.41 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -149.27 44.37 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.49 28.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 88.71 58.16 1.75 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.132 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 13' ' ' SER . 8.3 t-20 -134.23 104.6 11.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -1.05 10.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.558 1.82 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.2 p -48.87 -27.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.756 ' HH ' ' NE ' ' A' ' 78' ' ' ARG . 6.1 m-85 -66.97 -38.83 86.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -40.14 69.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -53.57 -44.76 69.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -74.78 -43.61 53.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' HG22 ' A' ' 34' ' ' VAL . 28.6 t80 -54.33 -26.51 30.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -90.37 -22.81 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.78 98.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -75.6 -45.18 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 18.8 tt0 -43.21 114.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' O ' ' OG1' ' A' ' 31' ' ' THR . . . -54.45 154.51 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.13 143.74 35.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.406 ' O ' ' CG2' ' A' ' 31' ' ' THR . 19.6 t-20 53.22 72.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 28' ' ' ALA . 17.9 p -154.27 -41.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.353 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.64 -10.34 38.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.47 158.12 45.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.585 HG22 ' CE1' ' A' ' 23' ' ' TYR . 46.3 t -83.3 106.67 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.526 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -54.21 -17.77 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.83 -48.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.11 -43.7 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -73.43 -37.52 65.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.463 ' CB ' HD11 ' A' ' 68' ' ' LEU . . . -55.21 -45.95 75.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.25 -29.59 70.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.33 -54.95 10.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -56.71 -33.85 66.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.68 -47.29 66.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -51.98 -21.36 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -69.12 -8.12 42.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 89.9 p -65.79 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.17 -24.93 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.44 1.087 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 3.3 mt -65.76 160.59 60.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.44 22.62 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -74.03 -23.12 59.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -60.34 -66.0 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.472 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.9 mt -55.8 -35.57 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.67 -44.41 90.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.95 -44.5 8.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' CB ' HG13 ' A' ' 89' ' ' VAL . 4.7 mmtt -63.49 -42.75 98.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.477 HG13 ' CG1' ' A' ' 89' ' ' VAL . 11.8 mt -56.58 -56.04 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' ALA . 18.9 t-105 -55.61 -56.16 23.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 107.994 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -45.15 -44.44 10.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -74.18 -31.19 62.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -70.36 -67.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' ALA . 15.7 t70 -37.92 128.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m -164.59 -42.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 110.376 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -50.6 -45.61 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.34 -60.55 0.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -79.9 153.79 28.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.1 -40.7 44.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 88.2 t -44.2 145.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 29.3 mt -99.74 171.08 8.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' CE1' ' A' ' 23' ' ' TYR . 1.7 m -121.08 -148.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 71' ' ' GLN . 17.1 mttt -83.68 -93.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.13 -50.55 1.39 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.26 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 3.7 t80 -56.84 -47.44 80.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.638 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -56.93 -19.8 19.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -85.28 -64.45 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.46 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . . . -43.82 -30.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.05 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.756 ' NE ' ' HH ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -52.2 -28.32 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.38 -41.42 80.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 56' ' ' ILE . 48.5 t -57.09 -38.54 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.51 -11.65 45.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.96 -69.67 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.403 ' CB ' HG23 ' A' ' 52' ' ' ILE . . . -52.76 -22.37 5.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.459 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.5 mm-40 -58.17 -28.64 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.459 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.9 t-20 -100.13 -13.84 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.94 14.19 29.69 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.9 mt -78.15 -179.97 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.489 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -59.78 169.59 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.477 ' CG1' HG13 ' A' ' 56' ' ' ILE . 20.7 t -111.78 -10.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 16.6 m -94.52 151.5 19.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.73 -26.78 67.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.6 m -53.0 -20.79 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.489 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.46 32.98 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -111.11 -175.75 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.9 p 71.19 37.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.21 -162.1 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.47 63.16 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.7 m -73.1 154.48 90.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.459 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -75.01 174.4 12.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.93 31.0 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.551 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.06 -164.63 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.68 -30.53 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.9 m-85 -39.03 161.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -66.18 140.12 58.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.628 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 74' ' ' PHE . 4.4 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.6 m -46.72 -76.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -57.0 -33.95 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -13.94 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.1 37.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 38.75 29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 86.31 59.3 1.86 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 8.8 t-20 -130.76 104.15 15.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.05 -7.17 18.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 p -41.1 -51.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.2 m-30 -62.13 -37.85 86.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -50.81 -40.6 55.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.22 -62.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 9.5 m-85 -58.01 -48.14 80.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.557 ' CE2' HG22 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -54.01 -26.21 25.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -30.94 54.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -84.24 -14.7 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.37 144.48 51.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' CB ' ' CD1' ' A' ' 35' ' ' LEU . . . -114.49 148.35 37.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.99 -171.09 12.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -116.13 46.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 p -103.35 -21.47 13.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.05 14.28 60.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -111.54 144.23 41.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.557 HG22 ' CE2' ' A' ' 23' ' ' TYR . 25.8 t -91.54 119.03 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.1 mt -61.75 -12.54 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.469 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . 78.9 -55.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mp -44.32 -52.61 7.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -59.2 -42.95 92.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -50.8 -51.94 45.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.03 -24.52 39.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.45 -52.2 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 22' ' ' TYR . 18.4 t80 -57.76 -41.94 83.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.1 mt -56.28 -48.75 75.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -49.99 -22.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.4 mttm -81.0 19.08 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 59.7 p -93.14 -68.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.408 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.13 -37.27 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.105 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.447 HD13 ' CG1' ' A' ' 80' ' ' VAL . 4.7 mt -58.76 162.61 6.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.01 -164.82 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -96.4 -34.68 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.38 -54.01 51.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.474 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 mm -63.24 -34.74 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ILE . 6.1 mt -62.96 -53.52 52.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.43 -42.7 3.51 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' CB ' HG13 ' A' ' 89' ' ' VAL . 1.5 mmtp -63.81 -43.03 97.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.48 HG13 ' CG1' ' A' ' 89' ' ' VAL . 1.9 mt -57.13 -55.53 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' ALA . 15.6 t-105 -54.88 -55.12 33.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 107.983 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -45.73 -41.22 10.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -77.86 -30.28 50.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -71.91 -67.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TRP . 19.6 t70 -38.59 128.75 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 m -158.01 -43.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -61.88 -55.12 33.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.39 -106.96 0.19 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -175.76 166.22 3.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.267 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 76.79 -15.28 6.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 5.4 t -151.64 150.77 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.561 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 64.3 mt -104.87 160.14 15.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -94.75 -149.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -93.07 -97.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -45.89 -27.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -51.0 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -50.48 -43.31 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -61.43 -33.5 73.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.8 t -68.54 -49.86 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.35 -38.38 74.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -51.06 -70.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.495 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -53.16 -35.96 60.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 56' ' ' ILE . 3.0 tt -52.02 -39.6 59.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.447 ' CG1' HD13 ' A' ' 48' ' ' LEU . 46.7 t -57.51 -41.6 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.27 -17.14 57.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.94 -72.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 108.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.03 -22.57 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -58.45 -22.56 55.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -100.74 -18.11 16.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.12 10.06 24.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.88 168.91 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.544 ' N ' ' HG ' ' A' ' 93' ' ' SER . 1.4 tt0 -51.68 162.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.48 ' CG1' HG13 ' A' ' 56' ' ' ILE . 37.0 t -103.2 0.52 10.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 m -94.32 165.2 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.86 -20.18 14.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.2 m -67.33 -7.41 24.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.544 ' HG ' ' N ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -97.03 -17.23 20.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.4 mt -84.8 -179.57 7.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 p 73.77 8.19 4.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -110.39 -164.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.27 59.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.6 m -61.16 150.71 78.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.543 1.812 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.21 28.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.554 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.96 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 46' ' ' SER . 3.1 tpt180 -99.68 -30.89 11.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.7 m-85 -39.3 161.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -66.3 168.36 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.556 HD21 ' CD2' ' A' ' 74' ' ' PHE . 7.2 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 14' ' ' SER . 45.8 p -59.19 -48.5 81.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -73.79 -33.41 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -46.52 19.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.52 56.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 55.4 18.48 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 78.06 52.15 5.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -85.38 121.87 73.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.63 21.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.0 p -45.56 -40.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.607 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.9 m-85 -66.05 -38.11 87.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -31.56 32.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG3' ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -61.16 -45.65 93.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.456 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 15.1 m-85 -72.63 -45.53 58.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 13.3 t80 -54.26 -26.69 30.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -25.97 25.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.95 -38.72 89.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -73.19 -39.32 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 33' ' ' ARG . 1.8 tt0 -39.37 140.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.423 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -133.01 168.54 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.57 -166.88 53.9 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -122.72 34.73 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 p -96.92 -29.37 13.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.09 24.34 27.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 4.9 mtm-85 -129.49 168.53 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.528 HG22 ' CE1' ' A' ' 23' ' ' TYR . 64.7 t -97.36 112.99 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -61.23 -12.39 12.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.98 -54.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -44.25 -38.45 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -74.47 -39.66 62.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.494 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -56.12 -42.79 77.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . . . -69.45 -24.83 63.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -76.51 -48.14 20.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 58.0 t80 -62.25 -27.58 69.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' A' ' 45' ' ' LYS . 76.4 mt -73.86 -47.05 41.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -49.5 -23.01 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 43' ' ' LEU . 4.9 mmtt -62.38 -24.31 67.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.573 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 18.2 p -50.74 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 149.02 -19.12 1.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 28.9 mt -65.36 161.09 53.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -36.83 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -58.82 -52.61 64.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.51 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.4 mm -62.88 -35.15 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.4 mt -63.37 -56.73 13.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.57 -42.97 1.5 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -48.93 79.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.512 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 8.8 mt -54.1 -54.39 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.549 ' CZ3' ' HB3' ' A' ' 40' ' ' ALA . 29.1 t-105 -55.08 -53.94 49.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -44.14 -45.85 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.435 ' CD1' HD13 ' A' ' 79' ' ' LEU . 1.7 tm? -76.62 -29.11 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -67.89 -65.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 5.9 t70 -37.67 126.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 m -159.72 -43.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.73 -52.46 40.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.69 -64.58 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -77.32 159.36 29.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -53.33 -44.73 65.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 21.9 t -39.82 148.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.494 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 13.7 mt -100.67 -174.67 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -147.06 172.17 14.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -44.02 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -40.69 -51.9 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.65 -73.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 29.5 t80 -57.26 -34.41 68.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.607 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.3 m-85 -72.92 -5.45 38.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.3 t -101.89 -49.07 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.422 ' O ' ' CG2' ' A' ' 80' ' ' VAL . . . -57.08 -23.99 50.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.567 HD12 ' CE1' ' A' ' 19' ' ' TYR . 3.0 mt -59.1 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.485 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -50.86 -46.23 60.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.438 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -41.63 -44.5 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.47 HG13 ' CB ' ' A' ' 46' ' ' SER . 93.4 t -60.92 -47.81 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 78' ' ' ARG . . . -63.68 -16.35 60.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.453 ' SG ' ' CG1' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -71.14 -63.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.307 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.82 -17.46 49.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.441 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -70.82 -7.64 46.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.47 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.5 t-20 -117.68 -6.54 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 103.11 5.51 46.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 88' ' ' GLU . 88.2 mt -77.72 148.63 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' A' ' 93' ' ' SER . 6.5 tt0 -41.75 163.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.512 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 9.1 t -101.46 -6.37 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' A' ' 93' ' ' SER . 2.5 m -94.69 169.47 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 94' ' ' LEU . 5.3 mt -54.52 -21.03 8.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -16.49 20.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.497 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 14.0 p -104.56 -15.94 15.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.472 ' CD1' HD22 ' A' ' 91' ' ' LEU . 13.9 mt -85.08 176.83 8.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.4 p 81.78 2.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -109.41 -168.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.57 59.12 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.453 ' CG1' ' SG ' ' A' ' 82' ' ' CYS . 10.2 m -40.3 147.71 0.36 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.47 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -74.99 174.92 11.95 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.49 12.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.485 ' CG ' ' NH2' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -75.02 -160.47 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -98.12 -29.54 13.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 14.1 m-85 -39.27 162.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.75 179.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.401 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' SER . 5.5 m -50.0 -70.02 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.361 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -30.34 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.91 -48.89 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -148.87 45.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 54.08 15.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 86.2 59.44 1.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.431 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 24.2 t-20 -108.88 115.87 56.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.69 8.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.431 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 7.3 p -51.97 -50.42 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.605 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.4 m-30 -61.23 -34.83 75.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -36.61 61.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -40.92 94.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.614 ' HH ' ' HB3' ' A' ' 104' ' ' HIS . 95.6 m-85 -75.18 -45.47 40.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 5.9 t80 -54.21 -28.86 43.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -21.78 22.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.0 81.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -77.58 -34.48 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.4 tt0 -45.46 143.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -119.92 150.23 40.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.28 -172.44 54.46 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.56 48.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -107.29 -28.57 9.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.418 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.79 28.25 16.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.7 140.26 49.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 69.9 t -82.89 116.19 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -60.94 -12.38 11.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.45 -56.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -44.33 -44.45 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -64.98 -40.58 95.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.569 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -57.09 -43.05 81.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -21.86 66.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -83.02 -49.51 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 57.4 t80 -62.55 -35.44 79.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.19 -48.07 66.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -49.74 -23.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -62.61 -14.97 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.579 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 67.7 p -56.92 -67.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.45 -19.54 1.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.3 mt -68.72 160.79 75.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.79 -29.46 58.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -60.07 -62.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.477 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.6 mm -56.28 -35.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ILE . 7.2 mt -64.03 -47.75 79.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.44 -43.08 4.74 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.518 1.137 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -64.92 -41.55 95.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.525 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 25.8 mt -57.04 -53.6 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ALA . 34.1 t-105 -55.4 -56.77 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -44.3 -51.9 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 91' ' ' LEU . 1.3 tm? -68.64 -28.8 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -65.08 -61.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.4 t70 -39.75 126.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -171.42 -52.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.05 -48.36 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.71 141.34 4.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 tttm 72.51 173.93 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.18 -49.09 22.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 42.7 t -40.44 145.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.569 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 84.7 mt -101.9 174.43 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.7 m -127.99 -162.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -40.15 -49.06 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.58 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 5.6 t80 -57.64 -30.48 65.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.605 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.3 m-85 -75.48 -5.8 46.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -98.39 -52.21 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.94 -23.84 34.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.441 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 3.1 mt -61.32 -73.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.502 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -53.58 -42.19 67.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.83 -50.17 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.507 ' O ' ' CG ' ' A' ' 84' ' ' GLN . 32.5 t -58.18 -40.69 78.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 101' ' ' PRO . . . -69.0 -12.63 61.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.36 -61.22 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.274 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.22 -15.55 57.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -66.69 -17.89 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.443 ' CB ' ' HG3' ' A' ' 99' ' ' PRO . 10.7 t30 -112.41 -16.72 12.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.69 9.5 9.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' CD1' ' HD3' ' A' ' 99' ' ' PRO . 9.4 mt -77.43 150.44 35.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -44.82 163.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.525 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 21.2 t -103.95 -8.83 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.473 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 1.6 m -94.44 151.56 19.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.432 ' CD1' HD12 ' A' ' 59' ' ' LEU . 7.7 mt -64.48 -23.51 67.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.35 -19.99 3.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.42 36.56 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 90' ' ' SER . 4.0 mm? -117.04 -170.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER 83.23 -0.07 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.94 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -161.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.51 59.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.48 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 4.4 m -39.95 147.12 0.36 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HD3' ' CD1' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.98 175.07 11.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 126.12 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 -161.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -98.97 -30.11 12.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 17.6 m-85 -38.57 161.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.614 ' HB3' ' HH ' ' A' ' 22' ' ' TYR . 1.2 m-70 -68.93 172.68 6.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.603 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 74' ' ' PHE . 1.1 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' CA ' ' A' ' 14' ' ' SER . 12.0 m -51.09 -52.34 44.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.64 -34.24 64.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.409 HD13 ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -49.36 -42.92 43.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.3 m -158.88 59.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.496 ' CA ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 39.0 29.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.465 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.31 58.5 3.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 39.5 t-20 -106.89 126.86 29.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 1.26 7.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -46.77 -49.17 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.624 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 m-30 -66.3 -32.66 74.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -31.02 64.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -42.23 98.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -78.27 -44.34 25.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE1' ' CG2' ' A' ' 34' ' ' VAL . 29.2 t80 -53.71 -24.97 16.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -97.45 -18.83 18.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -29.6 70.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG13 ' CB ' ' A' ' 42' ' ' PHE . 2.4 m -85.5 -47.2 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 4.1 tm-20 -38.49 145.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.64 121.28 44.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.53 -169.57 28.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.35 49.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.1 p -98.57 -41.93 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.97 27.1 6.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.6 128.82 37.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.595 ' CG2' ' CE1' ' A' ' 23' ' ' TYR . 21.1 t -88.82 112.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.53 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -61.03 -12.36 11.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.6 -52.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -45.79 -43.46 13.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -33.41 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.477 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -54.53 -53.82 49.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.92 -24.84 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.92 -59.51 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.471 ' CB ' HG13 ' A' ' 26' ' ' VAL . 25.7 t80 -64.19 -40.37 95.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 46' ' ' SER . 78.7 mt -49.3 -48.09 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' A' ' 46' ' ' SER . 9.8 mtmt -46.31 -25.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 43' ' ' LEU . 7.5 mtmt -81.47 26.61 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.472 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 98.7 p -92.67 -81.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 167.01 -29.43 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 15.9 mt -71.83 160.82 81.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.63 2.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -82.8 -33.68 27.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.54 -67.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.429 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 7.8 mm -51.78 -37.78 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 8.0 mt -61.13 -52.02 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.31 -43.32 2.73 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -45.59 93.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.47 HG13 ' CG1' ' A' ' 89' ' ' VAL . 16.6 mt -54.72 -57.53 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.467 ' O ' ' N ' ' A' ' 60' ' ' ALA . 38.2 t-105 -55.28 -53.76 52.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -45.11 -41.11 7.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -80.67 -29.17 36.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.98 -62.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.9 t70 -38.44 128.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -156.79 -44.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -46.16 -46.0 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.37 61.12 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.35 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 146.71 -54.36 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 22.4 t -39.63 148.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 20.1 mt -99.51 171.62 7.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -138.25 -176.22 4.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -53.74 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -38.11 -49.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.37 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 23' ' ' TYR . 82.8 t80 -54.59 -35.13 63.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.624 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.9 m-85 -74.5 -3.42 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.5 t -102.97 -56.41 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.77 -25.3 40.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.66 -71.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.532 ' NE ' ' HH ' ' A' ' 19' ' ' TYR . 1.8 mmp_? -58.07 -41.32 83.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 82' ' ' CYS . 1.3 tt -45.4 -42.8 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.2 t -54.59 -48.69 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.02 -17.9 20.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 3.8 t -69.39 -65.29 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.23 -19.73 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.469 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -70.99 -7.25 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 50.9 t30 -114.81 -7.54 12.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.37 7.06 59.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 mt -77.86 177.5 8.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.0 OUTLIER -56.92 173.49 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 56' ' ' ILE . 5.2 t -114.04 -10.18 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m -94.32 150.06 20.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.06 -25.1 65.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -55.27 -18.86 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.452 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.65 28.47 8.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 94' ' ' LEU . 4.2 mm? -108.69 -178.49 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p 76.08 33.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.5 -162.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.55 71.67 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.2 m -79.46 153.27 76.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.439 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.01 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 142.37 27.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.571 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.97 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -100.16 -30.76 11.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 27.5 m-85 -38.58 161.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -68.41 176.28 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 74' ' ' PHE . 88.9 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.478 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 4.5 m -55.98 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -33.73 71.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -45.32 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.05 59.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER 55.82 18.47 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.478 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.75 44.19 32.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.465 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 12.8 t-20 -69.82 117.92 58.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.03 16.29 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 8.8 p -54.9 -50.83 58.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 5.3 m-30 -64.24 -35.08 79.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -42.31 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.543 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -50.06 -48.68 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.545 ' HH ' ' HD2' ' A' ' 105' ' ' ASP . 92.8 m-85 -69.22 -49.72 53.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 3.0 t80 -53.4 -22.97 8.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.24 -24.91 24.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -61.81 -38.82 89.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -73.32 -43.56 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 2.8 tm-20 -38.92 142.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.12 139.72 42.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.51 -168.58 52.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -114.31 44.09 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.41 HG22 ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -98.02 -40.27 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.42 -17.28 23.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.41 ' CG ' HG22 ' A' ' 31' ' ' THR . 0.0 OUTLIER -85.52 139.53 31.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.512 ' O ' HG12 ' A' ' 67' ' ' VAL . 68.8 t -89.68 111.03 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.3 mt -55.06 -11.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 39' ' ' ALA . . . 80.63 -54.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.04 -53.03 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -59.5 -40.98 88.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.556 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -46.02 -55.41 6.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.05 -29.43 57.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -67.79 -52.55 35.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 34.1 t80 -62.38 -32.42 73.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.6 mt -70.92 -47.27 60.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.43 -21.21 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -79.94 11.43 3.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.49 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 56.3 p -86.15 -60.74 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.3 -38.31 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.446 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 5.9 mp -62.73 164.01 13.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -98.41 -27.94 13.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.79 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.466 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.7 mm -55.15 -35.81 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.38 -48.19 78.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.41 -44.61 5.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -60.66 -44.55 96.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.536 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 17.8 mt -57.11 -53.16 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.467 ' O ' ' N ' ' A' ' 61' ' ' ASP . 5.8 t-105 -55.12 -57.33 12.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.77 -30.75 6.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -83.25 -31.67 26.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -78.43 -65.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' TRP . 15.1 t70 -39.18 130.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -162.14 -43.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -40.9 -47.6 2.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.87 -61.82 0.65 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 155.11 18.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.1 -43.22 88.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.524 ' CG1' ' N ' ' A' ' 68' ' ' LEU . 2.2 t -51.49 165.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.556 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 90.3 mt -99.73 163.01 12.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.471 ' HB2' ' CG ' ' A' ' 72' ' ' GLU . 1.4 m -96.8 -145.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -98.36 -97.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.58 -31.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 69' ' ' SER . 68.9 mm-40 -46.28 -76.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -49.82 -43.03 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.1 m-85 -57.71 -26.93 62.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -78.66 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.431 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -42.86 -30.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.411 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -59.81 -73.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.5 mmp_? -59.48 -21.01 59.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -43.13 99.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.78 -37.28 75.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.7 -19.63 51.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 87' ' ' LEU . 4.2 t -77.38 -72.92 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.252 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.82 -25.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.446 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.5 mm-40 -52.25 -33.72 42.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.6 t30 -102.52 24.8 9.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.58 16.86 70.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 72.1 mt -77.68 165.67 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.516 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 3.5 tp10 -50.24 162.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.536 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 2.7 t -107.51 -11.59 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 9.5 m -94.52 142.99 26.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.8 -26.12 57.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -19.97 5.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.516 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -121.45 33.45 5.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 94' ' ' LEU . 4.3 mm? -112.73 -178.13 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.2 p 78.45 27.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.45 -162.36 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.42 59.81 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.6 m -63.94 140.39 97.85 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.478 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.4 Cg_endo -74.97 174.35 12.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.6 30.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 17.9 Cg_endo -75.06 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -100.08 -31.04 11.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.1 m-85 -40.32 163.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -7.32 34.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.545 ' HD2' ' HH ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 14' ' ' SER . 4.2 m -51.22 -52.39 44.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -71.02 -33.46 70.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.33 -40.47 17.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -164.8 61.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 40.68 28.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 72.17 55.98 6.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -97.87 117.05 65.62 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.83 20.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.2 p -46.31 -36.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.79 ' HH ' ' CZ ' ' A' ' 78' ' ' ARG . 15.1 m-85 -66.55 -40.04 88.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -40.55 34.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.28 -64.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 14.8 m-85 -57.62 -43.98 85.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 33.7 t80 -54.24 -30.32 49.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -24.52 28.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -63.05 -40.12 96.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -75.19 -42.21 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' VAL . 2.4 tt0 -38.69 132.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.79 149.2 24.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.3 -178.95 4.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -109.18 43.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.8 p -93.78 -32.08 14.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.85 24.02 10.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -135.17 143.3 46.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 1.6 p -95.51 115.59 34.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.573 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -60.07 -12.87 9.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 89.25 -56.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -40.33 -38.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -73.46 -48.35 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.551 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -48.75 -41.64 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.64 70.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -66.18 -56.31 12.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 80.8 t80 -56.91 -33.66 67.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.2 mt -64.24 -47.7 78.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -20.31 6.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -76.21 -1.91 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 60.6 p -69.71 -70.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.58 -25.79 0.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.454 HD13 ' CG1' ' A' ' 80' ' ' VAL . 9.8 mt -67.02 162.61 52.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.13 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -94.67 -31.92 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.26 -60.2 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.472 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.6 mt -58.23 -35.32 52.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.4 mt -63.11 -51.27 67.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.68 -46.61 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -60.47 -43.72 96.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 14.8 mt -57.11 -53.82 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' ALA . 28.4 t-105 -55.16 -56.29 21.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 108.044 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.97 -44.58 15.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.83 -29.23 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -68.19 -62.82 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' ALA . 29.6 t0 -39.14 123.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.4 m -157.3 -44.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -46.61 -46.27 19.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.79 43.3 0.81 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.25 169.25 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' VAL . . . -64.57 -60.61 6.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 36.2 t -39.33 146.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.551 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 77.8 mt -102.12 169.42 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 m -123.99 -160.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -70.08 -93.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' VAL . 6.4 mt-30 -38.2 -47.7 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -43.4 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 9.8 t80 -59.49 -39.62 84.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.4 m-85 -64.69 -15.42 61.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.5 t -89.97 -63.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.44 ' O ' ' CG2' ' A' ' 80' ' ' VAL . . . -48.28 -26.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' A' ' 73' ' ' PHE . 1.1 mt -62.78 -75.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.79 ' CZ ' ' HH ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -55.01 -41.61 71.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tt -43.94 -40.68 4.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.454 ' CG1' HD13 ' A' ' 48' ' ' LEU . 84.2 t -60.45 -44.31 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' ARG . . . -62.88 -15.94 56.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.88 -69.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.314 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.9 -20.15 14.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.446 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.2 -15.26 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.472 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 2.4 t30 -107.8 13.67 26.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.83 7.05 86.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 85' ' ' ASN . 4.3 mt -77.8 177.99 7.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 93' ' ' SER . 5.9 tt0 -53.03 161.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.519 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 7.3 t -105.48 2.14 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.2 m -94.61 160.55 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.78 -21.56 63.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.36 -47.25 72.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' A' ' 96' ' ' LEU . 50.1 p -74.24 -22.57 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.437 HD23 ' CG1' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -63.06 -37.14 86.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.0 p -57.63 -19.87 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 7.6 mt -74.33 -167.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.42 56.78 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.437 ' CG1' HD23 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -42.64 132.8 2.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.471 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.1 Cg_endo -75.09 174.76 12.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 141.66 26.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.541 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.05 -164.45 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -100.08 -30.08 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 27.5 m-85 -38.52 161.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.61 174.06 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 74' ' ' PHE . 14.1 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.5 m -47.92 -71.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -32.95 70.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -45.58 -42.43 11.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -167.59 61.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 46.67 25.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.0 51.96 26.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -83.95 114.0 51.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.02 9.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -57.79 -39.8 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 8.1 m-85 -66.29 -32.35 73.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -32.43 57.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.566 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 1.6 ttpt -62.41 -37.94 87.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 9.1 m-30 -75.06 -54.74 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 2.6 t80 -53.39 -20.84 4.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -25.97 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -62.28 -35.25 78.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.8 OUTLIER -87.44 -29.47 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.5 tt0 -55.01 144.43 23.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -114.12 160.7 18.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.49 -175.04 1.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -118.76 48.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.1 p -101.41 -37.28 8.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.65 12.81 20.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -118.16 138.7 52.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.558 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 5.0 p -101.48 120.51 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.9 mt -63.36 -12.61 31.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.473 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . 81.3 -51.92 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ALA . 2.5 mm? -38.8 -39.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -71.34 -49.01 46.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.475 ' CB ' HD11 ' A' ' 68' ' ' LEU . . . -46.22 -43.22 15.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.39 84.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -65.43 -45.45 83.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -62.94 -38.37 90.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.82 -46.47 89.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -53.93 -21.58 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -76.12 -1.78 27.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 90.9 p -72.57 -74.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.42 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 164.84 -29.79 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.477 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 13.3 mt -72.85 161.87 77.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.01 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.448 ' HD2' ' N ' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -98.35 -24.8 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.54 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mm -47.8 -35.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 5.4 mt -61.4 -46.84 88.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -46.32 -39.84 10.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -63.85 -41.87 97.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.286 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.468 HG13 ' CG1' ' A' ' 89' ' ' VAL . 55.2 mt -57.1 -56.98 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.533 ' CZ2' HD23 ' A' ' 68' ' ' LEU . 8.9 t-105 -54.37 -54.37 41.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.5 -29.43 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 79' ' ' LEU . 1.9 tm? -88.79 -29.52 19.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -74.97 -62.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' ALA . 2.0 t70 -38.77 129.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -159.43 -44.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.47 -47.77 38.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.28 -56.2 0.73 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.143 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' GLY . 1.8 ttmt -81.13 141.57 34.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -37.39 -42.82 0.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.558 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 53.9 t -40.4 146.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.533 HD23 ' CZ2' ' A' ' 57' ' ' TRP . 20.2 mt -100.25 169.24 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.5 m -126.24 179.22 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -54.14 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.15 -52.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -39.53 -71.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 6.1 t80 -57.25 -41.18 79.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.1 m-85 -61.41 -20.49 63.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.2 t -85.35 -64.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -44.36 -28.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.63 -77.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.477 ' CD ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -53.88 -31.15 48.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' CD1' HD13 ' A' ' 59' ' ' LEU . 1.6 tt -56.15 -40.18 73.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.11 -41.65 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 99' ' ' PRO . . . -60.24 -21.38 61.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -67.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.228 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.49 -21.92 4.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.477 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -69.97 -14.39 62.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 6.6 t30 -107.79 -14.91 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.75 5.49 56.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mt -77.6 164.11 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -41.61 163.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 56' ' ' ILE . 4.4 t -103.21 1.12 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -94.51 163.23 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.75 -21.34 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -51.02 -48.4 61.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.5 -22.85 60.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -36.93 85.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.5 p -51.99 -23.14 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.23 -166.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.13 73.16 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.9 m -54.47 146.55 32.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.478 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.1 Cg_endo -75.03 174.98 11.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 142.53 27.77 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.08 -165.28 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.802 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.7 -29.74 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 25.3 m-85 -38.38 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 105' ' ' ASP . 80.6 t60 -79.38 171.15 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.61 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 3.9 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' GLY . 14.4 m -46.95 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.38 -32.36 66.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.12 -16.73 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -149.12 36.64 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.031 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.45 29.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' N ' ' C ' ' A' ' 13' ' ' SER . . . 89.22 58.46 1.66 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 5.3 t-20 -135.99 108.83 9.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.01 0.79 8.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.544 1.812 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 p -44.82 -39.3 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.031 ' HH ' ' CZ ' ' A' ' 78' ' ' ARG . 8.6 m-85 -66.58 -36.79 83.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -58.85 -34.33 71.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -51.89 -53.55 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.426 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.1 m-85 -68.17 -44.64 75.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 48.8 t80 -52.08 -27.52 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -83.96 -28.33 27.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -37.63 85.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.426 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -76.07 -40.28 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.1 tt0 -40.91 143.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -123.8 144.14 49.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.25 -169.85 54.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -119.01 49.87 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.1 p -108.08 -29.34 9.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.71 25.43 20.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -130.71 145.63 51.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 2.0 p -91.68 116.88 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.9 mt -57.61 -13.72 4.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 88.5 -55.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -47.85 -38.37 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -72.99 -32.11 64.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 68' ' ' LEU . . . -59.17 -40.41 85.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.03 -29.74 66.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 -55.23 27.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 22' ' ' TYR . 29.3 t80 -59.89 -40.82 90.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' SER . 79.4 mt -58.46 -46.37 86.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -20.08 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -78.42 2.46 18.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . 53.8 p -73.67 -69.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.01 -26.57 0.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 10.3 mt -64.4 163.08 28.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -97.23 -36.81 10.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.94 -54.31 47.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.49 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 mm -61.98 -35.21 67.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 10.3 mt -64.09 -52.03 61.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.64 -41.38 3.26 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -62.08 -43.93 97.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 0.713 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.475 ' CD1' HG21 ' A' ' 80' ' ' VAL . 8.5 mt -56.75 -57.53 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' ALA . 28.3 t-105 -55.23 -50.96 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -43.77 -45.98 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -80.07 -27.53 39.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -63.18 -59.53 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -37.67 140.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.64 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.61 38.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.02 -133.71 11.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' CE ' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -162.86 168.92 20.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.432 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 88.31 -16.48 52.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.565 1.166 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.432 ' CG2' ' C ' ' A' ' 66' ' ' GLY . 26.0 t -154.99 149.61 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 39' ' ' ALA . 7.5 mt -99.37 179.96 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.04 155.37 45.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.404 ' CG ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -47.58 -72.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.404 ' H ' ' CG ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -49.97 -60.38 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' VAL . 1.6 mm-40 -39.52 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 14.8 t80 -47.2 -42.68 20.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.2 m-85 -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -79.41 -56.13 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.52 -46.97 66.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.49 -63.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 1.031 ' CZ ' ' HH ' ' A' ' 19' ' ' TYR . 1.9 mmp_? -64.4 -33.33 75.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 59' ' ' LEU . 2.4 tt -55.92 -37.8 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 56' ' ' ILE . 92.2 t -60.5 -37.42 74.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 99' ' ' PRO . . . -63.59 -18.7 64.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.459 ' SG ' ' CG1' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -72.46 -70.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.41 -22.58 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.473 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.45 -13.52 30.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.455 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.8 t30 -109.8 -14.04 14.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.91 49.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.71 169.59 18.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.07 162.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.456 ' CG1' HG13 ' A' ' 56' ' ' ILE . 11.8 t -104.93 -0.02 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.2 m -94.41 164.33 13.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 94' ' ' LEU . 6.9 mt -60.72 -22.79 64.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -47.97 58.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -72.65 -23.94 60.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.47 ' CB ' HD21 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -62.4 -36.46 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.5 p -52.87 -22.68 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 mt -80.65 -167.62 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.21 74.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.459 ' CG1' ' SG ' ' A' ' 82' ' ' CYS . 5.7 m -53.06 144.61 27.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.455 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.04 174.88 12.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.79 24.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -162.94 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -101.86 -30.38 11.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 28.6 m-85 -38.47 161.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.65 137.07 57.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.615 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.405 HD12 ' CZ ' ' A' ' 74' ' ' PHE . 5.8 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' SER . 7.7 p -56.39 -49.58 74.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -32.55 58.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.52 -43.6 35.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.74 56.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 58.69 14.92 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.484 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 81.51 42.66 9.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.483 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 34.9 t-20 -71.17 118.19 63.49 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.26 21.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.483 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 14.2 p -46.03 -41.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.094 ' HH ' ' CZ ' ' A' ' 78' ' ' ARG . 15.8 m-85 -66.29 -37.69 86.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -38.14 34.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.03 -43.49 66.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 12.6 m-85 -74.4 -49.83 20.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 3.1 t80 -54.27 -28.3 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -29.11 35.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -32.9 72.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.527 ' CG2' HG22 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -86.81 -26.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.31 140.42 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.36 166.1 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.58 -170.55 1.3 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -124.27 52.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.2 p -111.94 -31.23 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.76 14.68 22.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -115.1 141.22 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.529 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 6.2 p -101.76 117.13 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.7 mt -61.95 -12.81 20.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.481 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . 81.68 -51.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ALA . 3.3 mm? -38.98 -46.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -64.43 -47.31 79.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -48.03 -38.97 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.07 -33.79 76.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -70.63 -47.83 58.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -55.25 -39.54 69.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' SER . 70.3 mt -55.67 -44.6 77.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -53.44 -23.12 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -78.82 2.7 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 79.5 p -78.17 -74.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.443 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 163.83 -30.29 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.462 HD13 ' CG1' ' A' ' 80' ' ' VAL . 16.4 mt -69.38 161.51 73.08 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.542 0.789 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -171.9 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -87.76 -33.41 18.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.45 -68.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.429 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.9 mm -51.31 -37.17 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ILE . 8.8 mt -62.49 -49.01 77.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.07 -39.91 3.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' CB ' HG13 ' A' ' 89' ' ' VAL . 16.5 mttt -65.56 -42.38 91.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' LEU . 17.1 mt -57.01 -56.19 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' ALA . 36.8 t-105 -55.43 -51.44 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -44.09 -44.22 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -81.03 -27.62 35.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.44 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.3 t70 -37.82 136.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.6 m -151.39 -44.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -60.0 -49.46 77.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.79 -66.89 0.49 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -41.08 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 174.65 -50.12 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 22.9 t -38.76 148.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.519 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 30.7 mt -100.31 163.43 12.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -111.05 -148.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -96.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -44.26 -29.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -49.64 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 4.2 t80 -51.15 -31.7 20.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.2 m-85 -69.99 -21.43 63.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.1 t -83.55 -62.2 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.38 -26.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -65.78 -74.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 1.094 ' CZ ' ' HH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -51.63 -29.91 19.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.425 ' CD1' HD13 ' A' ' 59' ' ' LEU . 1.1 tt -57.74 -43.55 85.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' A' ' 48' ' ' LEU . 85.0 t -54.72 -36.94 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 99' ' ' PRO . . . -63.88 -17.43 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.454 ' SG ' ' CG1' ' A' ' 98' ' ' VAL . 0.5 OUTLIER -76.98 -70.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.259 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.46 -23.4 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 2.3 mm-40 -56.27 -25.0 46.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -103.57 -16.71 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.95 12.95 21.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 mt -77.91 172.78 12.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 93' ' ' SER . 2.9 tp10 -51.29 161.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.478 HG13 ' CB ' ' A' ' 55' ' ' LYS . 34.7 t -104.24 -1.47 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.23 165.35 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.45 -21.37 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -51.34 -48.75 62.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.036 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 88' ' ' GLU . 86.1 p -73.3 -22.48 60.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -36.88 85.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.7 p -53.28 -25.02 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.08 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 1.4 mt -77.3 -163.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.78 64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.454 ' CG1' ' SG ' ' A' ' 82' ' ' CYS . 9.7 m -43.57 146.28 0.98 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 174.82 12.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 140.76 25.9 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.541 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -164.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.73 -30.15 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 27.6 m-85 -38.92 161.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.84 170.75 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.609 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.55 ' CD2' ' CG ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' SER . 6.4 m -47.51 -54.32 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -76.36 -32.11 58.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -42.04 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.41 58.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 54.79 18.63 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.48 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.23 29.88 55.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -55.82 121.06 37.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.47 7.72 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -56.74 -43.0 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 18.1 m-85 -66.77 -34.62 78.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -33.77 65.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -38.15 85.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 20.4 m-85 -77.79 -42.64 33.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CD1' ' CD2' ' A' ' 73' ' ' PHE . 13.8 t80 -54.04 -33.26 56.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -24.69 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -34.94 77.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -87.6 -25.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' HG3' ' C ' ' A' ' 33' ' ' ARG . 21.5 tt0 -61.77 117.12 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -49.41 166.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.481 ' O ' ' CG2' ' A' ' 31' ' ' THR . . . -79.89 149.66 31.61 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 18.6 t-20 37.26 51.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 22.2 p -119.9 -38.41 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.92 -22.88 8.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.4 ' C ' ' HG3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -135.71 164.18 28.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.529 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 1.9 p -92.35 112.2 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.54 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -57.1 -15.0 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 86.56 -48.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -40.07 -45.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.1 m-20 -73.4 -41.82 62.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -51.69 -38.45 55.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.73 -32.37 69.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.12 68.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 83.8 t80 -66.42 -29.08 69.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 45' ' ' LYS . 72.3 mt -75.01 -46.74 33.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -20.9 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 43' ' ' LEU . 2.2 mmmt -71.06 -5.08 28.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.539 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 24.2 p -68.24 -55.95 10.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.23 -35.9 1.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 2.1 mt -60.69 162.35 12.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.45 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -95.23 -28.61 14.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.48 -61.07 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.45 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.8 mt -56.03 -37.2 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' ILE . 7.9 mt -63.6 -49.5 73.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.14 -44.94 3.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.462 ' CB ' HG13 ' A' ' 89' ' ' VAL . 6.5 mtmt -60.62 -45.46 93.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.734 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 60' ' ' ALA . 57.8 mt -55.87 -55.62 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.508 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 16.8 t-105 -55.35 -55.85 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 108.021 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.34 -29.52 4.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -88.8 -29.31 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -71.29 -58.91 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ALA . 37.8 t70 -39.48 126.0 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -164.64 -43.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -46.87 -40.24 13.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.88 11.39 16.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.52 142.24 26.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -43.8 -48.81 7.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 38.9 t -45.36 147.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.437 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 21.3 mt -102.12 173.55 6.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -128.24 -156.31 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -77.05 -88.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -38.02 -52.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -43.71 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' A' ' 23' ' ' TYR . 48.4 t80 -51.67 -32.17 28.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.8 m-85 -79.94 -0.88 36.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -104.46 -55.29 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . . . -56.61 -31.74 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -72.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.489 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -55.4 -32.77 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 82' ' ' CYS . 2.0 tt -50.25 -48.27 54.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -51.68 -43.71 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.91 -18.38 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.6 t -73.49 -69.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 108.304 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.6 -21.41 3.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.428 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.5 mm-40 -62.13 -25.6 67.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 29.5 t-20 -100.17 -10.85 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.43 11.48 47.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 70.7 mt -77.81 179.26 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.41 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 5.2 tt0 -58.18 166.51 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.469 ' CG1' HG13 ' A' ' 56' ' ' ILE . 10.9 t -107.57 -10.16 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.46 141.42 28.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.066 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 3.8 mt -52.36 -24.34 7.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -53.28 -20.5 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.41 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -121.09 32.16 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.936 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 94' ' ' LEU . 4.4 mm? -111.35 -176.05 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 p 72.78 27.73 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.94 -165.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.25 61.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 m -72.25 154.68 92.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.465 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.1 Cg_endo -75.04 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.88 33.36 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.03 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 46' ' ' SER . 1.9 tpt180 -99.61 -31.36 11.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 22.8 m-85 -40.14 162.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 173.21 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.585 HD21 ' CD2' ' A' ' 74' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' SER . 17.3 m -53.92 -51.08 64.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -33.08 57.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.44 -45.76 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.21 55.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 59.88 13.82 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 10' ' ' THR . . . 81.76 42.56 8.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.427 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 38.0 t-20 -67.35 126.1 92.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.01 -18.59 18.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.427 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 10.0 p -41.86 -44.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.703 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 17.8 m-85 -66.66 -38.83 87.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -54.83 -39.84 68.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.44 -52.8 15.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -67.59 -52.81 34.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 12.5 t80 -52.79 -23.07 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -24.65 28.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -63.96 -38.81 92.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.2 m -67.43 -34.5 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -38.98 146.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.23 169.0 18.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.08 -167.02 7.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -116.24 47.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.48 -29.54 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.38 -0.2 80.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -116.25 158.7 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.511 ' CG2' ' CE1' ' A' ' 23' ' ' TYR . 75.8 t -85.21 114.55 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.7 mt -63.51 -11.58 25.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.19 -53.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -40.37 -57.79 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -57.71 -39.51 77.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.532 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -48.63 -53.28 19.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.82 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -71.5 -55.46 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.46 -29.77 59.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.04 -48.25 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -54.21 -19.95 6.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -78.29 1.41 21.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 91.2 p -74.94 -78.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 164.18 -27.26 0.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.0 mt -71.15 162.67 71.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.78 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.87 10.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.96 -30.23 44.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -60.07 -64.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.472 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.9 mt -56.6 -35.16 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ILE . 6.9 mt -62.63 -50.09 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.65 -44.67 4.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -61.85 -42.53 99.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.517 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 31.9 mt -57.19 -57.65 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.465 ' CH2' HD12 ' A' ' 68' ' ' LEU . 20.9 t-105 -55.51 -53.72 52.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -43.73 -46.5 7.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.416 ' O ' HD21 ' A' ' 59' ' ' LEU . 2.2 tm? -75.46 -30.64 60.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -65.36 -65.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.1 t0 -38.9 131.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -155.35 -46.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.8 -55.53 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.94 -116.65 0.42 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.21 163.44 15.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.49 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 85.37 -15.38 45.7 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -154.26 162.55 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 0.8 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.532 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 89.6 mt -120.36 158.18 27.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.429 ' HB2' ' HG2' ' A' ' 72' ' ' GLU . 56.1 m -91.03 -98.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.26 -63.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.519 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -54.47 -46.54 73.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' N ' ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -49.32 -70.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.4 t80 -53.16 -23.68 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.703 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.4 m-85 -77.22 -20.95 54.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 t -87.07 -56.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.8 -37.06 18.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.3 -68.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' NH1' ' OH ' ' A' ' 19' ' ' TYR . 5.2 mmp_? -64.6 -25.59 68.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.41 -38.71 77.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.507 ' O ' ' CG ' ' A' ' 84' ' ' GLN . 17.3 t -60.41 -51.16 76.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 99' ' ' PRO . . . -55.38 -24.26 28.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -66.17 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.305 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.25 -21.72 60.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -60.95 -13.89 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.475 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.9 t-20 -112.78 16.64 19.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.74 10.48 86.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.592 1.182 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.3 mt -78.31 167.64 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.495 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -50.46 170.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.517 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 16.3 t -115.03 -9.8 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.448 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 12.0 m -94.39 151.41 19.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.3 -23.75 67.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 m -58.76 -20.15 46.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.495 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -119.9 32.33 6.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 90' ' ' SER . 3.6 mm? -109.09 -169.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 95' ' ' SER . 6.9 t 64.38 38.81 7.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.71 -157.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.88 54.85 3.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.6 p -63.92 128.14 92.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.475 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -74.98 174.77 12.21 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.435 1.755 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.4 30.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.553 1.818 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.97 -165.32 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.809 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 15.9 ttt-85 -99.69 -30.05 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 28.6 m-85 -38.52 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -66.99 170.42 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.629 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -118.35 172.39 7.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD21 ' CD2' ' A' ' 74' ' ' PHE . 20.6 mt -49.21 -36.05 18.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' SER . 87.9 m -49.67 -70.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -59.46 -33.59 71.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -45.85 -40.9 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -166.71 61.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.941 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 41.67 28.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 68.28 51.65 31.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.416 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 11.3 t-20 -88.08 114.52 59.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.754 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.96 -12.38 21.6 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.416 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 8.6 p -45.08 -40.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 11.6 m-85 -66.32 -37.33 85.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -52.13 -35.19 47.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.55 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -55.62 -40.78 72.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 13.7 m-85 -76.38 -47.6 22.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 21.7 t80 -54.17 -23.71 15.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -24.02 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.16 -37.84 86.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -78.75 -41.4 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -38.67 137.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -111.57 157.57 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.45 -165.55 53.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.02 55.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.7 p -114.35 -37.51 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.37 30.73 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -134.78 143.67 47.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.275 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.535 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 44.4 t -90.01 114.54 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.7 mt -61.83 -11.91 14.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.73 -54.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -43.64 -51.46 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -59.07 -37.52 77.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.528 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -49.88 -55.65 13.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.34 -31.12 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.92 -49.73 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.249 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.57 -33.94 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' SER . 80.1 mt -67.37 -48.25 68.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -21.03 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -78.34 2.49 18.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.4 p -75.24 -71.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 154.09 -28.17 0.72 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' CD2' ' HB1' ' A' ' 83' ' ' ALA . 9.0 mt -65.67 161.77 49.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 169.51 22.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.07 -31.6 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.5 -64.65 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.457 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -54.89 -36.69 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.3 mt -61.65 -50.32 72.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.39 -43.96 3.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -60.34 -43.55 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ALA . 73.5 mt -56.93 -54.56 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 60' ' ' ALA . 30.3 t-105 -55.45 -56.05 24.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -44.96 -51.11 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -69.83 -27.18 64.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -72.42 -70.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 30.3 t0 -38.26 127.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 m -160.93 -43.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.93 -46.9 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.36 -62.12 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -76.51 146.21 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -44.28 -46.99 8.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 21.8 t -39.73 148.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.528 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 90.4 mt -100.21 174.91 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.423 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -127.35 -150.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -83.24 -94.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 75' ' ' VAL . 1.4 mm100 -39.98 -50.94 2.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -39.74 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 10.3 t80 -60.28 -42.99 96.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.635 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.9 m-85 -60.66 -19.16 57.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.0 t -84.48 -65.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.07 -30.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -77.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.481 ' NE ' ' HH ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -53.56 -26.34 20.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 59' ' ' LEU . 1.1 tt -57.48 -46.46 83.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG12 ' CB ' ' A' ' 46' ' ' SER . 59.5 t -54.13 -36.89 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.82 -13.75 60.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -75.51 -67.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 108.297 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB1' ' CD2' ' A' ' 48' ' ' LEU . . . -55.46 -19.91 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.31 -25.94 68.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.462 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 22.4 t30 -103.38 -9.2 19.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 97.64 12.82 46.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 94.0 mt -77.88 -178.97 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.796 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.7 OUTLIER -60.13 173.04 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.3 t -115.06 -9.8 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.486 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 37.7 m -94.53 153.44 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.46 -24.68 67.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.9 t -56.28 -18.32 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.496 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.84 29.62 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.43 -177.69 3.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 p 72.89 35.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.5 -161.96 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.47 57.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -68.2 156.81 89.17 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.462 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.1 Cg_endo -75.05 173.88 13.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 145.95 32.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.512 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.92 -163.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -99.76 -31.08 11.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.0 m-85 -39.35 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -65.95 166.15 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.647 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' C ' ' NE2' ' A' ' 71' ' ' GLN . 92.9 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.36 -179.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 70' ' ' LYS . 40.0 mt -81.27 -33.93 32.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.2 m -49.24 -64.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.31 -33.92 75.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.23 -41.1 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -167.61 62.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 42.36 27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.987 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.85 52.86 17.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 18.5 t-20 -89.41 114.61 61.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.41 18.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 14.4 p -52.0 -38.66 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.637 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 12.0 m-85 -66.46 -34.68 78.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -39.63 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HD3' ' CE1' ' A' ' 22' ' ' TYR . 4.7 ptmt -49.19 -44.06 42.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CE1' ' HD3' ' A' ' 21' ' ' LYS . 12.1 m-85 -75.89 -46.8 28.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CE1' HG22 ' A' ' 34' ' ' VAL . 44.4 t80 -51.45 -28.93 14.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -89.47 -24.05 21.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.48 -32.61 73.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -85.72 -40.7 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -39.03 139.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.33 147.56 34.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.65 -170.48 51.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -121.62 51.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.8 p -107.32 -33.08 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.12 25.11 8.07 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -130.73 141.46 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG22 ' CE1' ' A' ' 23' ' ' TYR . 71.0 t -91.99 115.92 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.3 mt -61.3 -12.3 13.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.02 -50.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -44.27 -44.6 8.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -70.51 -35.81 73.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -57.46 -35.71 70.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.15 57.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.42 -47.21 35.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -61.84 -45.58 93.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 46' ' ' SER . 21.1 mt -52.3 -48.43 65.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 46' ' ' SER . 1.9 mttm -47.44 -24.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -81.46 24.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.483 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 86.9 p -97.38 -74.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 160.29 -26.68 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.481 HD11 ' CG1' ' A' ' 80' ' ' VAL . 14.5 mt -67.66 161.85 62.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.401 ' CD ' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.94 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.798 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.528 ' HD2' ' N ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -96.57 -37.42 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -60.24 -54.1 49.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.483 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 mm -63.3 -34.68 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ILE . 8.6 mt -63.58 -51.82 63.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.11 -45.74 4.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -57.61 -44.31 85.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.53 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 47.3 mt -56.15 -54.49 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' ALA . 26.9 t-105 -55.34 -55.87 26.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 107.956 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -43.45 -49.37 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.06 -31.22 67.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.28 -68.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ALA . 23.2 t70 -38.75 126.98 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 m -161.78 -43.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.382 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -49.22 -47.54 46.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.49 -57.62 0.67 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -82.48 139.13 34.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.738 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -39.19 -41.28 1.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 45.8 t -43.74 145.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.422 ' N ' HG11 ' A' ' 67' ' ' VAL . 31.4 mt -99.94 171.16 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -123.99 -149.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.07 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -83.12 -90.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 9.5 mt-30 -39.28 -47.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.087 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -43.27 -72.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.533 ' CE1' HD13 ' A' ' 77' ' ' LEU . 22.9 t80 -57.44 -40.02 77.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.637 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -66.61 -10.76 49.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -93.41 -60.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.1 -28.07 2.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.59 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -61.14 -69.36 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.498 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -61.03 -25.86 67.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' CD2' ' O ' ' A' ' 89' ' ' VAL . 0.9 OUTLIER -57.77 -41.1 81.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.481 ' CG1' HD11 ' A' ' 48' ' ' LEU . 44.8 t -60.07 -40.28 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.88 -14.81 37.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -68.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 108.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB1' ' CD1' ' A' ' 48' ' ' LEU . . . -56.0 -19.68 13.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -61.16 -23.28 65.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.467 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 21.0 t-20 -102.83 -11.46 18.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.06 10.44 39.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -77.93 -179.69 6.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -60.71 165.44 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.53 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 8.9 t -106.41 -10.74 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.0 m -94.36 150.57 20.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' A' ' 94' ' ' LEU . 6.1 mt -58.42 -25.38 62.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 m -52.29 -20.91 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.496 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -120.45 32.05 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.433 ' CB ' HD21 ' A' ' 91' ' ' LEU . 4.2 mm? -109.75 -177.51 3.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p 74.8 31.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.79 -161.12 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.35 68.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -77.25 157.15 81.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.467 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -74.98 174.39 12.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.51 33.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.505 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.05 -163.52 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -99.65 -30.66 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.8 m-85 -39.04 161.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 171.22 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 8.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.7 m -46.0 171.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 70' ' ' LYS . 14.6 mt -52.52 -38.67 60.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' SER . 1.7 t -48.55 -54.46 14.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -76.18 -33.12 59.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.75 -38.32 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' ASN . 0.4 OUTLIER -170.17 60.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 44.88 26.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 67.42 40.46 91.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' SER . 8.8 t-20 -68.58 121.27 80.28 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -9.4 20.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.8 -43.76 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.631 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 19.0 m-85 -66.61 -35.02 79.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -38.04 82.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -52.53 -44.8 65.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -73.93 -50.65 19.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -54.11 -19.97 5.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -24.72 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -38.88 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -75.02 -40.73 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -40.61 143.89 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.94 139.89 53.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.95 -175.87 43.65 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -115.99 47.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 p -109.63 -27.17 9.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.82 32.66 10.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -134.54 139.62 45.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.274 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 88.3 t -86.11 115.05 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.525 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.1 mt -61.57 -12.09 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.2 -56.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mp -43.06 -39.19 2.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -71.6 -44.77 63.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.447 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -47.63 -45.53 27.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.23 76.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -62.2 -52.98 61.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -64.05 -43.42 95.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 46' ' ' SER . 82.2 mt -56.35 -48.67 76.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -47.1 -25.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 43' ' ' LEU . 3.1 mtmt -81.44 25.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' LEU . 82.6 p -93.39 -74.02 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.6 -28.01 0.48 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 HD11 ' CG1' ' A' ' 80' ' ' VAL . 12.0 mt -67.91 160.42 74.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.69 12.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -77.03 -37.62 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.28 -63.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.45 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.8 mm -54.66 -36.76 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.2 mt -62.18 -51.53 67.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.66 -44.26 2.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -60.46 -45.9 92.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 14.8 mt -55.35 -52.87 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' ALA . 26.7 t-105 -54.85 -55.29 31.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -45.3 -43.19 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -75.97 -30.52 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -71.26 -67.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TRP . 17.3 t70 -38.98 127.57 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.8 m -144.65 -45.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -48.26 -57.91 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 65' ' ' LYS . . . 103.77 82.53 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER 168.32 -42.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.326 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 145.81 -60.97 0.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 21.4 t -40.06 148.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.447 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 36.3 mt -100.37 -176.47 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -143.55 174.62 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -49.14 -92.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.54 -50.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -41.03 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.6 t80 -57.73 -40.76 80.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -63.08 -16.7 60.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.3 t -89.43 -63.88 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.44 -26.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -76.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CZ ' ' HG3' ' A' ' 101' ' ' PRO . 1.1 mmp_? -56.08 -37.75 69.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 tt -45.94 -42.28 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.418 ' CG1' HD11 ' A' ' 48' ' ' LEU . 39.3 t -61.14 -40.58 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 78' ' ' ARG . . . -59.75 -17.3 34.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.432 ' SG ' ' CG1' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -77.02 -67.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.281 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.412 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -48.58 -24.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.12 -13.13 23.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.4 t30 -115.07 2.45 14.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.93 10.37 75.62 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.07 164.29 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.459 ' N ' ' OG ' ' A' ' 93' ' ' SER . 1.9 tt0 -42.1 164.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.519 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 15.6 t -108.11 -6.44 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.25 169.31 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.12 -19.78 8.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -67.49 -6.5 19.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -94.8 -15.77 23.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.453 ' O ' ' CB ' ' A' ' 95' ' ' SER . 9.2 mt -87.66 179.9 6.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.5 p 82.19 2.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.041 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.06 -166.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.08 56.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.432 ' CG1' ' SG ' ' A' ' 82' ' ' CYS . 23.2 m -52.2 146.13 16.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.457 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.06 174.07 13.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.51 29.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.557 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.98 -164.11 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 1.3 ttt-85 -99.62 -30.7 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 26.6 m-85 -39.32 161.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -66.35 166.64 11.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' SER . 12.2 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -38.95 154.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 mt -40.44 -35.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.484 ' O ' ' CA ' ' A' ' 14' ' ' SER . 8.0 m -55.69 -52.19 64.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -76.08 -32.74 59.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.85 -38.81 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -168.37 60.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.484 ' CA ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 44.05 26.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.478 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 71.51 51.81 15.1 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.436 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 23.9 t-20 -88.01 116.18 65.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.43 21.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.436 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 11.9 p -46.49 -38.97 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.739 ' HH ' ' CD ' ' A' ' 78' ' ' ARG . 12.9 m-85 -65.82 -41.22 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -39.84 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -44.95 -50.56 10.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 15.7 m-85 -70.24 -42.43 72.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.666 ' CD1' ' CG ' ' A' ' 73' ' ' PHE . 7.3 t80 -54.11 -29.25 44.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 -26.83 29.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -34.35 75.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -81.74 -35.66 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' N ' HG21 ' A' ' 26' ' ' VAL . 1.1 tt0 -48.4 143.64 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.342 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -113.29 165.29 12.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.88 -168.66 1.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -120.54 47.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.8 p -99.98 -34.66 10.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.74 30.01 7.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -134.56 145.37 48.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' A' ' 23' ' ' TYR . 55.3 t -93.21 112.61 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -59.7 -13.42 9.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.86 -54.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -41.74 -41.32 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -73.45 -42.19 62.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.538 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -52.23 -39.4 60.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -69.62 -30.0 67.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.92 -49.9 47.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 78.8 t80 -62.39 -34.39 76.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.8 mt -68.87 -46.92 67.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -21.31 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.81 0.69 22.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.7 p -69.58 -72.88 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 159.67 -27.13 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.437 HD13 ' CG1' ' A' ' 80' ' ' VAL . 12.0 mt -68.9 162.13 66.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 168.27 25.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -75.7 -33.6 60.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.71 -67.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -51.41 -37.75 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.7 mt -62.13 -50.04 73.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.48 -46.89 2.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -58.74 -45.67 89.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.467 HG13 ' CG1' ' A' ' 89' ' ' VAL . 33.7 mt -56.66 -50.19 75.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 13.9 t-105 -55.38 -58.93 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -47.26 -39.66 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 79' ' ' LEU . 1.7 tm? -74.77 -31.03 61.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -77.2 -69.05 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 57' ' ' TRP . 13.4 t70 -37.22 128.24 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 m -157.66 -44.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -43.98 -47.76 8.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.0 -63.54 0.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -72.82 140.2 47.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -37.94 -45.08 1.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 21.6 t -39.39 148.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.538 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 26.9 mt -100.58 170.17 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -127.3 179.27 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -54.31 -96.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.07 -50.45 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 3.9 mp0 -41.51 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.666 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 25.6 t80 -59.55 -36.74 76.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.6 m-85 -66.96 -17.0 64.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.2 t -86.31 -66.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.447 ' O ' ' CG2' ' A' ' 80' ' ' VAL . . . -43.88 -27.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.505 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -61.81 -78.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.739 ' CD ' ' HH ' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -53.06 -38.07 62.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 82' ' ' CYS . 1.6 tt -49.11 -44.24 42.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 76' ' ' ALA . 73.0 t -55.6 -38.1 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.76 -12.67 49.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 6.9 t -73.75 -73.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB1' ' CD1' ' A' ' 48' ' ' LEU . . . -51.27 -25.23 5.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.408 ' N ' HD12 ' A' ' 48' ' ' LEU . 2.2 mm-40 -53.53 -30.35 41.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.462 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 3.7 t30 -108.86 21.16 17.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.09 13.82 73.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 74.8 mt -77.95 161.89 27.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.54 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -43.21 166.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.467 ' CG1' HG13 ' A' ' 56' ' ' ILE . 1.8 t -113.32 -13.23 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.475 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 60.5 m -94.37 149.74 20.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.26 -21.76 66.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.3 m -59.7 -15.26 18.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.54 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -126.02 32.49 5.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 90' ' ' SER . 4.1 mm? -111.96 -178.59 3.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.1 p 79.23 27.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.946 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.69 -160.52 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.57 70.35 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 m -78.02 148.14 74.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.462 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -75.01 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.551 1.816 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.79 32.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.529 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -163.82 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -99.76 -30.85 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 25.7 m-85 -39.0 161.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -67.9 169.33 10.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.569 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -177.85 179.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.569 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 15.8 mt -77.65 -39.79 43.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' GLY . 68.1 p -51.11 -64.31 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -57.2 -29.98 64.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.401 HD11 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -58.13 -16.68 14.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -149.51 21.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.6 OUTLIER 58.92 16.05 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 104.36 52.16 0.89 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 7.0 t-20 -134.32 109.37 11.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.02 2.53 6.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 p -42.98 -36.76 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.609 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -65.7 -42.21 91.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -45.44 -39.37 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -51.66 -64.36 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-30 -56.76 -44.27 81.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -54.13 -32.36 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.6 -25.43 28.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -37.16 83.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' CG2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -78.92 -37.78 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -41.14 138.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -112.48 132.04 55.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.89 -171.2 42.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -121.84 51.44 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.9 p -113.37 -14.41 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.392 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.63 66.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.5 145.84 40.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.523 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 2.0 t -99.56 115.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 2.1 mt -62.29 -11.99 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . 80.16 -54.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -41.08 -41.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -70.59 -45.41 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.551 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -50.24 -42.25 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.85 -30.88 71.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.81 -49.1 50.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 35.3 t80 -62.57 -37.41 86.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.0 mt -63.1 -43.81 97.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -22.19 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.96 -4.09 30.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.2 p -67.64 -73.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.55 -23.75 0.5 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 23.4 mt -70.92 161.24 79.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -31.39 12.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.83 -63.78 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.466 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.5 mm -57.21 -35.15 47.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 mt -64.49 -45.0 89.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.85 -46.95 9.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -43.8 98.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.511 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 4.0 mt -57.02 -56.03 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ALA . 21.6 t-105 -55.32 -55.01 36.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -45.72 -42.12 11.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 91' ' ' LEU . 1.7 tm? -77.15 -30.42 55.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.14 -61.29 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' ALA . 22.1 t70 -39.18 132.15 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -165.89 -42.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -62.42 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.17 115.35 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 163.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 85.09 -15.57 43.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 6.2 t -152.71 150.23 12.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.774 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.551 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 49.0 mt -106.05 163.99 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.6 m -118.6 -174.09 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -59.89 -97.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' VAL . 38.6 mt-30 -37.5 -37.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -55.91 -25.77 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -82.0 -2.07 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.9 t -104.63 -51.92 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.06 -29.35 63.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.581 ' CD1' ' CE2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -51.57 -71.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.538 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 2.6 mmp_? -60.74 -41.45 95.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.87 -40.68 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.418 ' CG1' HD13 ' A' ' 48' ' ' LEU . 75.1 t -58.74 -43.99 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.32 -18.31 26.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -67.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.337 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.58 -21.47 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -69.31 -14.53 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 21.8 t-20 -109.36 -4.84 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.74 10.31 67.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.9 mt -77.85 -179.02 5.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 1.8 tp10 -59.28 163.15 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.511 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 3.1 t -105.57 -10.55 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.6 m -94.53 140.74 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 59' ' ' LEU . 5.7 mt -54.02 -25.24 20.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.6 m -54.31 -19.47 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.503 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.28 29.84 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' N ' HD21 ' A' ' 94' ' ' LEU . 4.2 mm? -108.74 -177.36 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 p 74.59 32.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.99 -162.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.12 61.81 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.5 m -70.89 148.33 94.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.464 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -74.98 174.07 13.41 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 142.99 28.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.555 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.02 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 103' ' ' PHE . 1.4 ttt180 -100.67 -30.87 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 26.6 m-85 -38.85 161.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -65.9 146.12 55.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.547 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.67 145.85 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.521 HD23 ' CG ' ' A' ' 74' ' ' PHE . 6.6 mt -41.88 -41.08 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 14' ' ' SER . 8.4 m -52.99 -59.78 4.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -61.58 -30.39 70.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -45.52 -54.95 6.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -149.85 49.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 59.14 12.6 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 93.39 55.06 1.61 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.471 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 32.3 t-20 -106.8 118.32 54.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.59 8.72 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 9.3 p -56.1 -41.28 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.661 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -67.04 -35.16 79.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.051 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.543 ' OE1' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.53 -35.88 78.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -43.44 20.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 14.1 m-85 -71.13 -45.17 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.631 ' CE2' ' CG2' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -54.33 -32.44 56.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -27.79 51.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.29 -34.74 78.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.501 ' CG2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.68 -10.57 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.78 140.38 58.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.21 156.27 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.91 -177.01 53.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.55 1.156 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -114.78 47.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.8 p -111.35 -30.58 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.57 27.31 15.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -128.6 155.91 44.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.631 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 2.9 t -86.69 111.14 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.9 mt -61.73 -12.35 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 81.8 -54.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -40.74 -57.98 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -58.41 -40.22 81.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.444 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -47.31 -51.56 18.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.86 -27.43 65.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -67.92 -50.15 57.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 46.5 t80 -66.14 -30.88 71.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.9 mt -64.59 -47.43 78.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -19.73 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -78.87 6.31 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.559 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 92.7 p -80.35 -78.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.987 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.43 -27.98 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.452 HD13 ' CG1' ' A' ' 80' ' ' VAL . 17.6 mt -66.54 161.12 62.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -75.02 -165.22 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.562 1.822 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -95.16 -35.41 11.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.515 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.76 -54.13 49.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.515 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.2 mm -61.39 -35.76 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 7.8 mt -64.72 -50.12 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.33 -43.26 3.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.587 1.18 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.47 ' CB ' HG13 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -63.63 -43.04 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.49 HG13 ' CG1' ' A' ' 89' ' ' VAL . 21.9 mt -57.21 -56.25 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.467 ' O ' ' N ' ' A' ' 60' ' ' ALA . 18.0 t-105 -55.48 -54.54 42.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 108.038 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -44.1 -46.66 8.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.405 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.06 -29.63 60.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -69.25 -67.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ALA . 1.1 t70 -37.85 126.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 m -160.17 -43.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -61.73 -39.05 90.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.91 173.0 18.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.89 -79.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.09 -44.09 0.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.539 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 28.2 t -40.31 147.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.444 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 42.3 mt -100.99 174.11 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -129.62 -152.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.7 -89.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.62 -50.72 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.41 -67.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 23' ' ' TYR . 2.0 t80 -58.67 -44.8 90.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -63.23 -10.98 17.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.6 t -94.61 -57.38 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.85 -29.62 29.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.689 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.6 OUTLIER -65.55 -71.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.506 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -50.83 -41.47 57.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' CYS . 2.2 tt -45.86 -44.76 14.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.452 ' CG1' HD13 ' A' ' 48' ' ' LEU . 83.3 t -52.59 -42.73 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.68 -18.76 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -72.82 -72.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.34 -22.41 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -59.66 -27.05 66.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 11.0 t-20 -99.98 -13.12 19.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.64 11.88 34.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 89.1 mt -77.85 176.53 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.484 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 4.5 tt0 -55.68 166.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.49 ' CG1' HG13 ' A' ' 56' ' ' ILE . 23.2 t -106.33 -11.79 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.0 m -94.67 149.86 20.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.013 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 5.6 mt -57.1 -24.16 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -52.03 -21.24 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.484 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -121.49 32.49 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 91' ' ' LEU . 4.3 mm? -109.2 -177.62 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 p 68.29 38.17 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.25 -160.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.61 58.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.3 m -71.66 156.36 91.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.465 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.04 174.03 13.5 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.25 33.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.534 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.96 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.9 OUTLIER -99.89 -31.14 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.2 m-85 -39.28 161.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -65.9 174.96 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.571 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' SER . 8.3 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -39.24 155.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.1 mt -41.13 -37.04 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' SER . 15.6 m -52.87 -51.66 60.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -33.0 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -42.55 31.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.99 57.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 54.92 18.56 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 75.48 37.08 41.99 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -62.42 118.8 44.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.795 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.04 -21.52 15.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -42.39 -46.9 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.66 ' CE1' ' NH2' ' A' ' 78' ' ' ARG . 6.8 m-85 -65.19 -37.12 86.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -57.6 -34.65 69.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -50.79 71.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.626 ' HH ' ' C ' ' A' ' 104' ' ' HIS . 37.7 m-85 -68.66 -45.34 72.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 2.8 t80 -54.13 -26.65 28.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.42 -23.24 24.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -64.84 -39.65 93.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -71.64 -38.88 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -41.75 129.49 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.59 164.65 14.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.72 -177.51 2.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -106.11 39.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t -90.79 -16.73 27.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.31 1.93 82.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.573 1.171 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.35 160.38 23.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.534 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 85.4 t -81.86 119.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.5 mt -61.46 -12.22 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.67 -56.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.66 -46.84 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -65.82 -36.05 82.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.534 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -51.56 -52.47 47.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.71 -24.65 66.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.05 -56.71 6.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 50.1 t80 -66.02 -28.06 68.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.56 -48.9 36.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -54.36 -23.41 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -75.4 -2.75 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 59.1 p -66.11 -71.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 161.24 -26.82 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.433 ' CD1' HG11 ' A' ' 80' ' ' VAL . 16.1 mt -68.21 161.89 64.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.417 ' CD ' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.99 -169.92 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -92.99 -36.2 12.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -59.82 -53.47 57.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.496 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.2 mt -61.78 -35.83 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.0 mt -64.22 -52.35 59.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.11 -50.15 2.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -46.03 88.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.495 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 5.2 mt -56.49 -53.13 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' ALA . 14.3 t-105 -55.66 -57.09 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.006 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -45.3 -43.51 10.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.423 HD13 ' CG ' ' A' ' 91' ' ' LEU . 1.9 tm? -74.28 -31.4 62.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -72.05 -68.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' ALA . 21.1 t70 -37.7 127.25 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.79 -44.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -56.71 -47.2 80.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.8 173.55 16.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.8 tttt 72.7 -75.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.49 -48.7 0.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 41.9 t -39.98 145.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.534 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 71.9 mt -101.35 -169.19 1.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -147.61 -163.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -65.36 -91.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -43.17 -50.37 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.54 -68.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 77' ' ' LEU . 29.0 t80 -61.71 -35.9 79.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.5 m-85 -70.36 -8.99 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.2 t -93.79 -56.9 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.3 -26.44 29.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.641 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -62.81 -74.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.66 ' NH2' ' CE1' ' A' ' 19' ' ' TYR . 9.3 mmp_? -50.58 -41.28 54.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.407 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -44.71 -41.44 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 48' ' ' LEU . 71.9 t -59.88 -41.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 78' ' ' ARG . . . -61.78 -19.11 62.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.54 -72.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.68 -24.28 13.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 2.7 mm-40 -55.71 -18.98 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.6 t-20 -115.39 20.23 14.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.31 12.1 82.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.7 mt -77.65 170.66 16.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.518 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 3.0 tp10 -52.33 169.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 24.7 t -111.06 -15.24 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.5 m -94.89 139.28 31.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.423 ' CG ' HD13 ' A' ' 59' ' ' LEU . 5.3 mt -51.4 -22.53 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -53.54 -20.23 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.518 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.8 29.41 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 95' ' ' SER . 3.5 mm? -108.34 -179.78 3.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.0 p 83.31 19.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.036 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.8 -161.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.7 59.13 3.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.0 m -64.05 142.43 98.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.472 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -75.02 174.71 12.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 148.3 35.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -165.13 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.442 1.759 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.58 -30.39 12.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 27.2 m-85 -38.93 161.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.626 ' C ' ' HH ' ' A' ' 22' ' ' TYR . 4.0 m-70 -65.63 143.21 57.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -39.97 156.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 70' ' ' LYS . 6.1 mt -41.46 -40.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' SER . 14.6 p -47.89 -53.48 15.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.436 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -31.94 58.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.44 -42.82 43.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.2 56.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 57.52 16.78 3.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.3 43.08 39.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' OD1' ' CG1' ' A' ' 18' ' ' VAL . 10.5 t-20 -66.03 122.15 79.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.03 -19.57 17.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.44 ' CG1' ' OD1' ' A' ' 16' ' ' ASN . 14.0 p -43.65 -44.93 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.8 m-85 -65.87 -35.21 80.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -60.14 -34.07 73.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -58.28 -44.0 88.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -74.56 -47.23 33.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.5 t80 -53.75 -23.33 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.36 -22.51 18.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -37.59 86.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG2' ' CG2' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.04 -24.34 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.93 138.7 57.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.2 165.9 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.29 -175.41 2.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -116.02 33.47 5.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.3 p -83.57 -36.46 23.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.13 21.74 10.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.11 149.03 52.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 0.727 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.587 ' CG2' ' CG2' ' A' ' 26' ' ' VAL . 4.6 p -101.5 110.15 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.3 mt -56.6 -15.95 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.42 -47.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' ALA . 8.2 mp -38.27 -50.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.47 -45.24 84.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.452 ' CB ' HD11 ' A' ' 68' ' ' LEU . . . -46.65 -49.98 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.52 -31.12 67.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -70.02 -52.44 24.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -55.35 -46.63 76.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.2 mt -49.16 -48.67 44.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 46' ' ' SER . 2.9 mttp -50.44 -21.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.0 mttm -80.94 19.02 0.91 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 82.9 p -93.24 -75.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 168.03 -30.59 0.17 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.435 HD12 ' CB ' ' A' ' 83' ' ' ALA . 16.2 mt -67.17 161.71 61.16 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -168.48 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -93.08 -37.6 12.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.528 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.44 -51.38 70.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.528 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 mt -64.41 -35.04 73.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.3 mt -63.17 -55.01 28.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.69 -46.4 2.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -58.87 -45.34 90.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.524 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 8.9 mt -56.97 -56.53 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.507 ' CZ2' HD23 ' A' ' 68' ' ' LEU . 15.8 t-105 -52.95 -53.95 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -24.91 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' A' ' 79' ' ' LEU . 1.5 tm? -94.49 -27.52 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -78.39 -60.45 2.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 60' ' ' ALA . 4.8 t70 -38.51 128.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -143.47 -45.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -51.87 -43.52 63.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.21 -66.53 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -41.58 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.6 -46.58 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 46.2 t -40.89 146.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.507 HD23 ' CZ2' ' A' ' 57' ' ' TRP . 26.9 mt -101.04 175.47 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.4 m -133.36 -166.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 16.6 mttt -64.71 -91.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -40.14 -51.05 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -40.12 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 40.6 t80 -60.63 -32.93 72.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.9 m-85 -72.75 -8.22 54.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.8 t -94.78 -63.47 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.72 -27.02 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.51 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -57.86 -75.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -56.64 -37.37 70.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 59' ' ' LEU . 2.1 tt -46.05 -43.92 14.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 t -58.09 -44.65 87.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 98' ' ' VAL . . . -57.98 -23.06 52.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -70.29 -63.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.435 ' CB ' HD12 ' A' ' 48' ' ' LEU . . . -56.24 -19.72 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -5.66 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.48 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 53.2 t30 -107.88 -15.78 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.02 3.06 36.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mt -78.89 173.77 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -50.47 169.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.524 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 25.5 t -107.19 -0.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -94.67 165.36 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 94' ' ' LEU . 4.4 mt -57.27 -18.98 19.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -7.18 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.172 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -95.5 -21.46 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 91' ' ' LEU . 9.0 mt -77.42 -179.19 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 p 72.45 11.3 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 93' ' ' SER . 2.1 mt -114.05 -162.39 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.36 55.48 2.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 81' ' ' ALA . 1.3 p -56.51 132.39 77.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.48 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.4 Cg_endo -75.0 175.08 11.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 140.99 26.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.56 1.821 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.556 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.06 -164.29 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.83 -30.26 12.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 30.2 m-85 -38.46 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -67.03 142.99 57.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.241 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.18 147.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 74' ' ' PHE . 2.7 mt -47.45 -35.31 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 14' ' ' SER . 20.4 m -58.28 -47.43 83.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -32.95 58.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.84 -43.72 28.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.43 56.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 57.66 16.44 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.98 51.18 5.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.415 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 39.3 t-20 -83.57 120.53 75.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -74.99 -14.85 21.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.793 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.415 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 10.2 p -43.38 -36.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.806 ' HH ' ' NE ' ' A' ' 78' ' ' ARG . 5.8 m-85 -67.0 -42.17 85.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -48.69 -36.74 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -65.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 11.7 m-85 -56.61 -45.32 81.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 3.3 t80 -54.76 -28.74 50.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -86.41 -22.4 26.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -31.3 71.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -88.27 -30.9 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -48.96 144.21 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.245 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.15 168.15 20.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.44 171.88 1.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -92.35 22.32 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 t -74.14 -30.12 62.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.28 7.48 82.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -123.97 171.5 9.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.534 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 71.4 t -85.23 118.71 32.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 2.0 mt -63.01 -10.96 15.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 80.6 -55.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -44.5 -50.36 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -66.81 -37.15 83.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.482 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -50.52 -46.9 57.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -64.47 -29.33 70.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -60.42 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 52.5 t80 -66.26 -49.82 65.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.8 mt -49.38 -45.96 46.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -53.8 -23.06 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.532 ' HB3' ' CD2' ' A' ' 104' ' ' HIS . 23.1 mttm -76.59 -1.34 27.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -60.08 -70.12 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.59 -23.52 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.45 HD23 ' CB ' ' A' ' 83' ' ' ALA . 44.1 mt -73.29 159.72 84.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.492 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.03 -168.35 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.63 -36.0 19.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.501 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.41 -67.52 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 8.8 mm -52.32 -37.24 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 12.0 mt -60.62 -51.88 67.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.93 -44.58 2.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -44.59 95.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 29.9 mt -53.71 -55.32 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ALA . 5.9 t-105 -55.08 -56.81 15.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.2 -40.5 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -75.98 -32.1 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.25 -61.65 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.1 t70 -38.97 126.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -174.26 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.97 -63.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.04 -130.94 5.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.35 -49.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . -110.04 12.04 31.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.445 1.091 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 41.5 t -142.23 145.83 23.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.482 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 35.4 mt -101.55 -167.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.66 174.71 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -46.77 -90.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -38.44 -53.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.76 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 48.4 t80 -53.35 -33.47 53.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.0 m-85 -67.12 -20.73 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 77' ' ' LEU . 1.7 t -84.72 -65.64 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.475 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -43.47 -28.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.695 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -62.46 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.806 ' NE ' ' HH ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -53.11 -22.34 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.436 ' HA ' ' CD1' ' A' ' 94' ' ' LEU . 1.2 tt -60.54 -40.24 90.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.446 ' CG1' HD11 ' A' ' 48' ' ' LEU . 56.0 t -56.12 -43.06 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.48 ' CB ' ' HG3' ' A' ' 101' ' ' PRO . . . -56.53 -18.26 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.0 t -72.41 -68.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.45 ' CB ' HD23 ' A' ' 48' ' ' LEU . . . -58.49 -23.37 57.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -53.45 -28.58 31.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.65 -18.62 17.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.41 11.09 20.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.82 179.47 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.405 ' HB3' ' CB ' ' A' ' 93' ' ' SER . 3.7 tt0 -57.82 170.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.519 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 3.2 t -116.04 -3.75 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.485 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 47.9 m -94.48 151.58 19.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.44 -21.33 59.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -61.63 -13.77 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.025 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -128.3 32.31 4.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -110.19 -177.83 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 p 65.92 37.45 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.962 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 mt -106.73 -156.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.4 58.75 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.0 m -75.86 157.19 84.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.33 12.96 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.81 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.88 3.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.48 ' HG3' ' CB ' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 150.99 38.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.615 ' O ' ' CD2' ' A' ' 103' ' ' PHE . 3.6 mmt180 -99.3 167.62 10.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.695 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 51.1 m-85 -168.79 179.29 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CD2' ' HB3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -82.06 169.33 16.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.617 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 p -45.93 169.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.052 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.42 HD23 ' CD1' ' A' ' 74' ' ' PHE . 26.0 mt -45.6 -34.86 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 14' ' ' SER . 1.0 OUTLIER -47.81 -53.66 14.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -31.7 58.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -49.3 -42.86 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.2 56.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 58.09 16.3 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.475 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.49 34.1 57.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.447 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 9.3 t-20 -52.92 113.62 4.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -19.06 18.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 7.4 p -47.64 -48.66 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.689 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -67.09 -34.55 77.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -43.4 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -45.47 -45.03 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 96.9 m-85 -69.13 -45.53 69.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CE2' ' CG2' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -54.53 -32.93 59.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' NH2' ' O ' ' A' ' 29' ' ' GLY . 1.7 tpm_? -71.59 -33.74 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -61.77 -33.78 74.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -87.71 -40.14 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.3 tt0 -60.61 141.12 57.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 35' ' ' LEU . . . -106.33 160.52 15.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' O ' ' NH2' ' A' ' 24' ' ' ARG . . . 54.62 171.56 0.06 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.12 32.14 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 0.808 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.2 p -86.45 -32.65 20.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.48 29.71 8.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -124.48 130.8 53.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.586 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 41.3 t -81.82 114.28 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 28' ' ' ALA . 1.3 mt -60.72 -11.98 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ALA . . . 79.62 -54.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.6 -51.13 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -66.7 -37.39 84.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.493 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -51.19 -48.11 62.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -26.69 68.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.18 42.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.473 ' CB ' HG13 ' A' ' 26' ' ' VAL . 14.2 t80 -64.57 -42.1 95.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 46' ' ' SER . 72.8 mt -50.85 -47.35 60.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -51.44 -21.5 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -80.36 13.25 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . 60.6 p -89.46 -72.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.47 -32.84 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.69 161.17 73.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.494 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.0 -171.63 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -89.91 -24.29 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -79.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 mm -47.85 -35.74 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 7.3 mt -59.5 -49.93 75.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.88 -38.54 5.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -65.25 -41.76 93.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 0.727 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.483 HG13 ' CG1' ' A' ' 89' ' ' VAL . 28.0 mt -57.23 -55.76 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' ALA . 18.2 t-105 -55.01 -53.95 49.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 108.021 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -44.93 -42.94 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.434 ' CD1' ' HG ' ' A' ' 91' ' ' LEU . 1.8 tm? -78.58 -29.31 46.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -69.96 -66.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 32.3 t70 -37.8 128.04 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -156.05 -44.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -45.66 92.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.97 69.13 1.42 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' CD ' ' HB ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -164.55 30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . 44.96 27.09 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.532 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 80.7 t -136.84 143.2 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.493 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 22.8 mt -98.86 174.12 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.3 170.68 14.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -46.49 -87.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.07 -57.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.55 -73.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -49.53 -36.28 22.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.689 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -71.63 -19.39 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -82.38 -56.55 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.8 -48.31 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.568 HD21 ' CE2' ' A' ' 103' ' ' PHE . 2.6 mt -47.13 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' NE ' ' OH ' ' A' ' 19' ' ' TYR . 1.5 mmp_? -55.43 -31.41 61.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.1 -42.18 76.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.3 t -56.26 -38.95 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.35 -15.32 57.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.9 -72.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.02 -25.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.69 -22.5 46.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -100.86 -25.26 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.72 8.43 15.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 mt -77.63 160.61 28.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.68 161.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.483 ' CG1' HG13 ' A' ' 56' ' ' ILE . 38.7 t -99.57 1.71 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -94.39 165.13 12.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.434 ' HG ' ' CD1' ' A' ' 59' ' ' LEU . 4.7 mt -56.91 -18.89 14.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.46 -8.64 27.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 58.9 p -98.66 -15.24 19.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 mt -86.82 179.56 6.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.7 p 75.5 4.03 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -109.9 -167.03 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.62 71.84 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.6 m -73.11 151.63 90.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.24 13.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 144.96 30.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.558 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.98 -163.69 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.74 -30.89 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.568 ' CE2' HD21 ' A' ' 77' ' ' LEU . 28.4 m-85 -39.11 161.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -68.88 172.12 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.577 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.438 ' N ' HD21 ' A' ' 7' ' ' LEU . 6.3 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 p -83.4 -178.39 7.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.645 ' CD2' ' CG ' ' A' ' 74' ' ' PHE . 3.9 mt -53.98 -34.63 60.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 14' ' ' SER . 10.2 m -48.53 -48.36 38.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -34.06 59.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -46.49 -44.33 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.22 57.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 58.42 15.71 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 75.43 32.17 55.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -50.23 118.42 9.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.759 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -75.04 -23.8 13.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -41.83 -50.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CZ ' ' NH1' ' A' ' 78' ' ' ARG . 4.5 m-85 -65.32 -34.42 78.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -55.23 -35.18 64.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -43.66 84.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -74.69 -47.18 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 t80 -54.59 -22.01 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -23.17 19.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.48 -38.53 87.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -76.03 -42.5 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.07 143.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.92 132.4 55.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 -169.91 44.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.03 46.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 p -105.35 -20.02 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.407 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.57 4.51 85.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -101.71 130.5 48.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.566 HG22 ' CE2' ' A' ' 23' ' ' TYR . 92.6 t -84.61 106.93 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.2 mt -55.83 -17.16 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.36 -51.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ALA . 2.3 mp -40.06 -49.8 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -67.25 -42.04 84.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.518 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -46.54 -51.78 14.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.19 68.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -66.22 -52.85 43.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -64.98 -37.52 87.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' SER . 54.2 mt -55.91 -49.66 72.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -48.25 -23.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -81.48 23.75 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.484 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 84.8 p -92.78 -77.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 161.08 -28.47 0.3 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.454 HD11 ' CG1' ' A' ' 80' ' ' VAL . 12.9 mt -67.31 161.65 62.41 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.431 0.724 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.54 -35.93 63.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.8 -62.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.446 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.7 mm -56.68 -35.79 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.5 mt -62.1 -51.52 67.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.48 -37.94 3.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -41.03 91.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' ALA . 36.7 mt -56.89 -56.46 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' ALA . 16.3 t-105 -55.61 -55.96 25.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -47.91 -31.49 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD21 ' O ' ' A' ' 59' ' ' LEU . 2.3 tm? -86.93 -29.35 22.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -75.7 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 60' ' ' ALA . 33.5 t70 -37.41 125.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -153.02 -44.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -61.55 -44.15 97.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.8 177.37 22.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt 74.69 -62.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 153.03 -50.14 0.51 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 19.2 t -39.47 150.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.518 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 82.8 mt -101.83 163.27 12.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -109.31 -161.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -68.81 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 75' ' ' VAL . 2.6 mm-40 -45.43 -34.07 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.01 -71.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 8.1 t80 -57.44 -48.61 78.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.645 ' CG ' ' CD2' ' A' ' 9' ' ' LEU . 1.7 m-85 -54.44 -25.94 27.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -75.48 -58.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -46.37 -27.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.456 HD13 ' CE1' ' A' ' 73' ' ' PHE . 1.9 mt -63.38 -77.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.646 ' NH1' ' CZ ' ' A' ' 19' ' ' TYR . 7.3 mmp_? -49.67 -38.41 32.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.37 -50.81 16.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.492 ' O ' ' CG ' ' A' ' 84' ' ' GLN . 10.3 t -61.76 -45.64 98.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.11 -27.02 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.4 t -74.69 -63.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 108.302 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.84 -18.46 44.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 1.9 mm-40 -60.39 -13.86 15.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.3 t-20 -99.88 -10.56 21.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.7 4.24 49.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.81 174.31 11.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.485 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -43.83 166.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.3 t -115.02 -10.17 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.471 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -94.67 154.58 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 mt -65.76 -24.81 67.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -56.41 -17.63 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.485 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -124.22 30.44 6.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 90' ' ' SER . 3.4 mm? -102.18 -175.74 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 p 73.05 34.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -116.87 -159.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.96 55.68 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.95 118.77 28.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.466 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.04 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.5 Cg_endo -74.93 139.2 24.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.575 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.05 -164.39 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.85 -30.25 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 30.2 m-85 -38.6 161.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -70.42 174.0 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.57 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 11' ' ' GLN . 4.9 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.56 151.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.488 HD21 ' CG ' ' A' ' 74' ' ' PHE . 6.1 mt -40.31 -36.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' GLY . 24.9 m -54.99 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.21 -34.58 72.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.5 -42.58 7.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.416 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -165.15 61.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 41.96 28.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.82 48.82 39.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 13' ' ' SER . 18.3 t-20 -85.14 115.59 61.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.19 9.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -58.86 -39.78 78.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.855 ' HH ' ' CZ ' ' A' ' 78' ' ' ARG . 14.2 m-85 -66.18 -33.38 75.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -33.76 58.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' NZ ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -62.22 -37.84 86.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' OH ' ' CB ' ' A' ' 105' ' ' ASP . 22.2 m-85 -78.61 -47.5 17.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 1.2 t80 -54.24 -24.3 18.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.57 -22.29 18.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.73 -37.06 82.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -81.52 -26.03 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.0 143.29 8.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.44 145.51 47.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.01 -174.8 55.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.44 41.91 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.0 p -104.77 -26.08 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.89 31.79 19.76 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 mtt85 -125.67 137.66 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.536 HG22 ' CE2' ' A' ' 23' ' ' TYR . 69.5 t -81.9 103.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.1 mt -53.39 -17.74 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 86.49 -54.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mp -42.6 -54.34 4.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.5 m-20 -58.27 -42.97 87.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.592 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -47.47 -52.19 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.13 49.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -71.0 -55.35 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -58.72 -34.44 71.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' SER . 80.3 mt -68.66 -45.45 71.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -53.09 -19.49 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -75.65 -1.04 22.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 45.0 p -67.95 -56.58 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.98 -33.43 2.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 6.2 mp -63.79 165.23 13.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.9 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.0 -25.66 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -60.33 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.476 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.5 mm -54.97 -35.97 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 56' ' ' ILE . 7.9 mt -63.77 -47.93 79.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.93 -43.11 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -42.4 98.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.476 HG12 ' CD2' ' A' ' 79' ' ' LEU . 15.2 mt -57.39 -58.0 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ALA . 33.5 t-105 -56.3 -53.58 55.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -43.45 -50.05 7.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -74.86 -27.46 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -63.04 -58.86 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ALA . 36.4 t70 -38.63 126.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -152.14 -45.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.45 -51.94 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.85 66.74 0.84 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.44 -60.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' VAL . . . 157.93 -64.26 0.3 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 42.5 t -40.29 146.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.592 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 23.3 mt -100.75 169.22 9.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 m -125.91 -174.73 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 2.8 mtmm -55.11 -88.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -42.78 -50.99 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.43 -72.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.4 t80 -56.91 -43.44 81.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.603 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -59.96 -17.04 35.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -88.89 -54.46 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.95 -28.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.522 HD21 ' CE2' ' A' ' 103' ' ' PHE . 2.5 mt -60.91 -77.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.855 ' CZ ' ' HH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -49.94 -38.15 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -46.36 -48.48 18.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.443 ' O ' ' CG ' ' A' ' 84' ' ' GLN . 86.8 t -61.59 -40.88 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.65 -19.41 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -69.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.92 -22.59 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.454 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.0 mm-40 -54.64 -29.28 51.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -100.89 -17.43 16.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.56 10.34 10.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.1 mt -77.4 153.96 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -44.09 167.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 56' ' ' ILE . 4.1 t -110.28 -5.9 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m -95.0 155.81 16.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 mt -62.57 -21.71 65.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.6 m -57.74 -16.54 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.45 ' CB ' ' HB3' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -122.33 28.27 7.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.404 ' O ' ' CB ' ' A' ' 95' ' ' SER . 4.2 mm? -109.92 -175.33 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 3.7 p 77.95 21.7 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.7 -164.31 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.5 63.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.437 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 3.1 m -47.6 147.36 3.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.04 176.28 10.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.4 Cg_endo -74.99 128.44 11.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.552 ' CG ' ' NH2' ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.11 -30.38 12.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.6 m-85 -42.03 167.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -65.46 172.81 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.601 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.427 ' CB ' ' OH ' ' A' ' 22' ' ' TYR . 1.1 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' GLN . 9.2 m -39.09 156.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 70' ' ' LYS . 4.1 mt -43.88 -41.42 5.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.507 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -56.43 -40.6 75.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' SER . 2.5 mt-30 -77.0 -37.82 54.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -45.15 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.45 58.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 55.57 21.28 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 70.06 51.34 23.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.495 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 37.7 t-20 -75.82 126.63 86.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.25 9.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.495 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 9.1 p -59.96 -46.05 94.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.0 m-30 -66.63 -33.63 76.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -35.43 68.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.568 ' HG2' ' CD2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -58.17 -44.0 87.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 97.9 m-85 -74.88 -50.45 16.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -50.39 -23.56 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -25.37 19.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.2 mt-30 -61.68 -39.9 93.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -76.52 -41.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.19 140.91 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.71 143.9 49.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.53 -171.08 47.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -122.22 49.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -107.55 -28.92 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.97 27.81 17.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -129.12 143.34 50.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 0.8 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 59.9 t -86.38 115.85 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 2.1 mt -64.9 -10.55 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 39' ' ' ALA . . . 77.96 -55.22 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -41.6 -42.72 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -74.54 -40.68 61.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.493 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -51.21 -43.97 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.43 -28.25 65.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.47 -46.61 69.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -64.77 -34.9 79.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 46' ' ' SER . 72.1 mt -59.09 -48.17 82.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' A' ' 46' ' ' SER . 3.2 mmmt -51.02 -21.27 1.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -80.45 15.17 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' LEU . 49.0 p -93.53 -67.14 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 149.84 -34.61 1.03 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 5.0 mt -58.75 162.54 6.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -85.66 -36.48 20.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.26 -51.14 71.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.516 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 2.7 mm -63.0 -35.81 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ILE . 2.9 mt -64.98 -52.46 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.1 -48.31 2.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -58.25 -47.33 83.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.762 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.488 HG13 ' CG1' ' A' ' 89' ' ' VAL . 60.3 mt -53.74 -54.88 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ALA . 23.4 t-105 -55.31 -57.88 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -46.57 -38.77 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -76.66 -32.12 57.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -67.24 -55.76 12.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -37.62 130.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -172.81 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.366 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.61 -66.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.28 128.33 1.83 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.4 151.25 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 67' ' ' VAL . . . 88.9 -7.46 82.05 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 65.6 t -156.52 143.85 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.493 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 26.0 mt -99.62 177.5 5.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.3 m -134.08 -167.95 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -62.77 -95.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.38 -47.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 60' ' ' ALA . 1.1 mt-10 -40.43 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.7 t80 -58.43 -42.77 88.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.632 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.2 m-85 -63.98 -11.28 27.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.1 t -95.18 -58.41 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.8 -24.59 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -71.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.492 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.1 mmp_? -59.49 -34.94 73.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.63 -38.51 60.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.43 ' CG1' HD13 ' A' ' 48' ' ' LEU . 54.8 t -61.3 -38.4 79.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -10.86 48.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.6 t -74.71 -66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.29 -19.2 44.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.457 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.4 mm-40 -62.4 -27.79 69.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 37.8 t30 -99.87 -12.42 19.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.79 8.46 42.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.406 ' CD1' HG13 ' A' ' 98' ' ' VAL . 9.1 mt -77.92 172.67 13.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.747 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.508 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -49.36 170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.488 ' CG1' HG13 ' A' ' 56' ' ' ILE . 3.4 t -112.02 -15.38 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.416 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 5.8 m -94.7 150.85 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 5.4 mt -57.59 -23.15 49.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m -52.12 -20.71 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.508 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -124.4 35.66 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 91' ' ' LEU . 4.4 mm? -111.3 -178.94 3.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p 74.56 34.21 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.16 -162.46 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.77 74.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 87' ' ' LEU . 19.9 m -84.39 156.82 62.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.4 Cg_endo -75.0 174.26 13.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 144.73 30.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.53 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.98 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.64 -31.05 11.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.3 m-85 -39.41 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -74.6 172.11 12.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.591 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 11' ' ' GLN . 5.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 p -45.41 166.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 mt -46.42 -40.05 11.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' SER . 71.1 p -47.36 -55.66 8.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.8 -32.29 59.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -42.9 38.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.4 57.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 57.27 16.88 3.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.49 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.67 36.2 53.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.438 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 7.7 t-20 -58.12 110.43 2.55 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.98 -19.04 18.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 5.6 p -44.07 -41.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.676 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -67.21 -39.07 86.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -50.47 -37.74 40.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.517 ' HG3' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -51.55 -40.08 59.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 12.4 m-85 -74.56 -43.53 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -54.59 -34.27 61.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.63 -26.33 41.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -37.9 89.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.553 HG11 ' CD2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -78.14 -30.47 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' N ' HG21 ' A' ' 26' ' ' VAL . 4.7 tt0 -47.23 129.61 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.46 167.43 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 173.91 23.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -95.93 32.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 t -95.18 -32.89 12.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.24 7.15 80.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -113.7 171.87 7.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.27 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.538 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 5.7 t -89.43 110.14 21.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.6 mt -62.15 -11.64 15.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 83.8 -55.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -44.87 -42.11 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -72.31 -36.16 68.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.478 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -52.44 -53.52 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.36 -25.61 68.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.93 61.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 20.2 t80 -71.08 -28.21 64.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' CD2' HD22 ' A' ' 77' ' ' LEU . 71.0 mt -70.17 -46.0 65.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.55 -21.24 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -73.82 -2.67 24.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 97.1 p -68.76 -75.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.05 -24.13 0.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.423 ' CD2' ' HB1' ' A' ' 83' ' ' ALA . 9.1 mt -62.6 164.63 11.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.753 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -166.48 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.06 -35.81 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.503 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.05 -52.86 63.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.503 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.6 mt -66.12 -33.29 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.24 -46.64 79.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.93 -41.66 28.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' CB ' HG13 ' A' ' 89' ' ' VAL . 11.0 mttm -61.6 -42.59 99.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.476 HG13 ' CG1' ' A' ' 89' ' ' VAL . 53.4 mt -57.03 -58.49 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' ALA . 31.5 t-105 -55.18 -50.69 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -42.4 -49.34 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -78.76 -26.98 44.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -61.67 -58.18 9.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ALA . 10.1 t0 -38.42 127.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -161.63 -42.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -53.99 18.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.58 64.68 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt 173.05 -41.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 139.31 -54.6 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 39.7 t -43.73 146.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.478 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 27.2 mt -99.94 168.71 9.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -121.29 -160.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.961 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -73.74 -81.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -48.06 -52.86 18.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -40.05 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 2.2 t80 -54.11 -35.82 62.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.676 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 1.3 m-85 -73.48 -11.66 60.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -90.72 -59.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -51.05 -41.35 59.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.529 HD21 ' CE2' ' A' ' 103' ' ' PHE . 3.0 mt -52.86 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.645 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -51.63 -35.5 42.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 82' ' ' CYS . 1.2 tt -51.26 -44.4 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 84' ' ' GLN . 53.1 t -50.41 -49.63 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.94 -21.18 10.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.7 t -71.73 -73.37 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 108.261 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HB1' ' CD2' ' A' ' 48' ' ' LEU . . . -52.41 -22.23 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -61.12 -23.93 65.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -112.69 19.39 17.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.34 15.11 77.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 25.5 mt -77.97 168.54 19.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.506 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -50.26 168.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.476 ' CG1' HG13 ' A' ' 56' ' ' ILE . 3.4 t -112.9 -13.69 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.1 m -94.73 149.83 20.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.2 mt -59.37 -24.6 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.8 t -51.98 -23.1 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.506 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -118.72 32.17 6.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.048 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' N ' HD21 ' A' ' 94' ' ' LEU . 4.2 mm? -109.27 -179.1 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.4 p 73.37 31.33 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.33 -164.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.76 57.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.2 m -68.07 157.48 86.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.05 13.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.52 31.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.503 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.02 -163.01 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.72 -30.96 11.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.2 m-85 -39.42 161.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.8 140.56 58.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.448 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 77.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -57.56 160.3 4.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.451 HD23 ' CG ' ' A' ' 74' ' ' PHE . 7.0 mt -41.37 -38.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' GLY . 4.8 m -47.77 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.09 -31.49 67.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -15.0 18.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.576 ' OG ' ' CE1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -148.52 24.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 51.98 20.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 96.08 51.94 1.69 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.495 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 6.0 t-20 -129.2 102.36 18.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.99 -13.02 21.56 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -42.76 -29.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.627 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.6 m-85 -66.72 -45.93 77.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -49.94 -32.4 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -59.03 -45.79 89.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.42 -46.99 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.2 t80 -54.05 -23.61 14.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.14 -22.36 19.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.27 -36.44 82.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -75.8 -33.7 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' N ' HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -38.45 148.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.73 129.01 50.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.48 -171.29 54.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -105.61 38.55 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.3 t -91.11 -22.25 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.31 -0.95 83.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -108.37 142.94 37.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 110.25 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.531 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 95.3 t -82.79 115.57 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.7 mt -61.26 -12.53 13.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.96 -56.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -41.74 -44.2 3.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -69.04 -42.86 75.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -49.69 -43.91 47.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.57 68.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -70.72 -49.35 47.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -63.84 -39.54 94.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' SER . 64.5 mt -55.95 -47.95 76.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.45 ' C ' ' H ' ' A' ' 46' ' ' SER . 8.6 mmtt -46.76 -24.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 43' ' ' LEU . 14.4 mttm -81.17 25.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' LEU . 56.5 p -96.25 -71.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 148.96 -23.55 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.407 ' CD1' HG12 ' A' ' 80' ' ' VAL . 13.6 mt -72.74 160.8 81.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.78 12.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.784 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -75.36 -33.49 61.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.61 -62.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.7 mm -55.6 -36.86 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.0 mt -61.37 -52.97 62.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.02 -44.47 2.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -60.61 -47.13 87.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.464 HG13 ' CG1' ' A' ' 89' ' ' VAL . 14.9 mt -52.92 -56.16 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' ALA . 21.6 t-105 -55.49 -56.49 19.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 107.966 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.51 -46.14 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD1' ' HG ' ' A' ' 91' ' ' LEU . 1.7 tm? -72.77 -31.57 64.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -68.87 -67.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' ALA . 19.9 t70 -38.23 126.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.4 m -160.15 -44.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -48.87 -49.37 39.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.77 -56.03 0.71 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 142.25 33.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' VAL . . . -40.16 -46.53 3.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.531 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 36.2 t -40.15 146.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.423 ' N ' HG11 ' A' ' 67' ' ' VAL . 29.7 mt -100.38 -179.2 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.86 162.05 35.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.39 -86.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -42.36 -53.33 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -40.02 -72.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.5 t80 -51.54 -43.29 62.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.627 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -57.53 -33.33 67.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 t -71.65 -53.08 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.06 20.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.29 -72.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.501 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -53.8 -41.91 67.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.439 ' CD2' HG12 ' A' ' 56' ' ' ILE . 1.1 tt -42.54 -43.47 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.407 HG12 ' CD1' ' A' ' 48' ' ' LEU . 41.7 t -59.85 -50.74 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.45 -21.56 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -67.28 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.96 50.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.1 -7.34 35.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 5.6 t30 -112.93 -31.04 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.47 2.2 7.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.19 145.52 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.92 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 56' ' ' ILE . 12.0 t -94.78 -2.7 10.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 m -94.53 160.26 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 59' ' ' LEU . 5.5 mt -55.4 -21.97 17.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.63 -22.09 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.4 ' O ' ' SG ' ' A' ' 82' ' ' CYS . 0.6 OUTLIER -116.02 29.52 7.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.415 HD21 ' N ' ' A' ' 94' ' ' LEU . 4.6 mm? -117.15 177.51 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER 78.58 10.97 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.937 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -166.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.73 57.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.475 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 8.6 m -40.4 151.1 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.45 ' HB2' ' HD2' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -74.97 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.3 Cg_endo -74.96 129.13 12.08 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.416 1.746 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.98 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.04 -30.1 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 34.5 m-85 -38.61 161.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 105' ' ' ASP . 79.3 t60 -69.96 170.9 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 11' ' ' GLN . 6.2 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -108.78 -167.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.657 ' CD2' ' CD1' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -37.69 -32.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.1 m -46.71 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -57.02 -30.09 63.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -58.43 -15.74 12.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.505 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -148.06 25.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.81 18.14 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 92.86 49.37 2.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.505 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 7.6 t-20 -110.67 100.66 46.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.1 Cg_endo -75.04 -16.98 19.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG13 ' ND2' ' A' ' 16' ' ' ASN . 8.2 p -42.67 -37.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.88 ' HH ' ' NH2' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -65.43 -44.16 88.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -45.5 -34.9 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -44.29 95.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.602 ' HH ' ' CB ' ' A' ' 104' ' ' HIS . 22.6 m-85 -75.27 -41.85 56.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 13.3 t80 -54.01 -34.1 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -80.26 -27.72 38.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.06 77.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -84.19 -41.29 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -38.83 115.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.9 113.35 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.59 -166.15 1.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -92.64 34.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -62.27 -43.22 99.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.63 0.8 30.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.81 141.66 46.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.504 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 11.2 t -83.65 105.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -57.69 -15.65 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.98 -51.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' ALA . 4.1 mm? -38.5 -47.07 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -71.7 -44.7 63.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -46.28 -48.47 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.42 72.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -65.84 -54.13 30.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 4.8 t80 -59.1 -46.07 89.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 46' ' ' SER . 33.8 mt -48.23 -48.64 34.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.455 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -48.3 -22.9 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -81.12 26.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 44' ' ' LYS . 60.0 p -97.07 -73.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 158.97 -34.81 0.49 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.458 HD11 ' CG1' ' A' ' 80' ' ' VAL . 7.8 mt -57.96 163.49 4.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -168.87 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.39 -37.62 11.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.553 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.9 -53.09 61.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.553 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.8 mm -63.68 -34.59 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.5 mt -64.87 -50.04 68.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.5 -42.94 4.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' CB ' HG13 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -65.78 -41.06 92.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.482 HG13 ' CG1' ' A' ' 89' ' ' VAL . 2.8 mt -57.37 -56.25 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' ALA . 43.6 t-105 -55.74 -54.72 40.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -43.81 -47.56 8.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.97 -35.82 82.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.77 -61.29 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' ALA . 43.0 t0 -36.61 126.05 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -161.16 -43.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -48.72 -56.95 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.75 65.28 0.67 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 pttt 179.77 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 67' ' ' VAL . . . 132.42 -56.87 0.73 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 18.3 t -39.36 152.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.453 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 23.7 mt -99.31 164.91 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -108.11 -148.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 5.0 mttt -88.04 -97.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' CD ' ' O ' ' A' ' 7' ' ' LEU . 51.0 mt-30 -45.27 -29.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.05 -71.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 2.6 t80 -48.93 -45.66 41.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CD1' ' CD2' ' A' ' 9' ' ' LEU . 2.0 m-85 -63.6 -24.19 67.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 76' ' ' ALA . 1.2 t -74.87 -57.49 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.417 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -49.41 -46.79 47.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 103' ' ' PHE . 2.8 mt -49.37 -70.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.88 ' NH2' ' HH ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -51.98 -34.96 44.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 82' ' ' CYS . 2.2 tt -52.83 -41.23 64.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.491 ' O ' ' CG ' ' A' ' 84' ' ' GLN . 77.5 t -53.43 -48.8 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.89 -20.13 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.4 t -73.56 -74.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.81 -21.83 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -59.45 -27.26 65.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 3.0 t-20 -108.28 16.59 23.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.55 17.0 79.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.6 mt -78.47 174.15 11.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 0.796 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.544 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -57.45 166.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.482 ' CG1' HG13 ' A' ' 56' ' ' ILE . 21.7 t -108.48 -15.18 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.444 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 66.2 m -94.83 150.05 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.0 -24.92 64.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 m -51.55 -21.49 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.544 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -120.24 33.41 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 90' ' ' SER . 4.5 mm? -113.67 -179.97 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.3 p 78.18 25.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.04 -162.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.79 65.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 10.0 m -74.51 156.89 86.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.434 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.03 174.17 13.24 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.74 31.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.576 1.829 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.99 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.782 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -101.7 -30.96 11.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.579 ' CE2' HD21 ' A' ' 77' ' ' LEU . 27.2 m-85 -38.92 161.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.602 ' CB ' ' HH ' ' A' ' 22' ' ' TYR . 1.5 m170 -66.09 167.21 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 2.5 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.403 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 2.8 m -63.14 176.16 0.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 21.4 mt -54.45 -35.81 63.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLY . 6.0 m -47.12 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -32.14 66.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -14.88 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.479 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.51 30.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 45.5 25.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.016 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 91.53 57.18 1.57 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 8.2 t-20 -130.91 95.18 26.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -74.98 -8.38 20.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG13 ' ND2' ' A' ' 16' ' ' ASN . 7.7 p -41.42 -35.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.802 ' HH ' ' NH2' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -65.99 -45.86 80.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 111.024 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -43.54 -38.3 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.66 -42.69 68.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 14.0 m-85 -73.35 -41.79 63.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.652 ' CE2' ' CG2' ' A' ' 34' ' ' VAL . 1.1 t80 -53.96 -38.99 65.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -33.28 71.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -61.74 -40.54 95.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -83.64 -19.72 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.7 tt0 -62.4 141.03 58.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.51 ' CB ' ' CD1' ' A' ' 35' ' ' LEU . . . -119.97 164.92 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.9 -169.13 46.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.67 27.26 7.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 33' ' ' ARG . 4.3 t -98.83 -25.9 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.82 12.41 40.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HB2' ' CG2' ' A' ' 31' ' ' THR . 8.1 mtp180 -99.68 147.47 25.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 0.762 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.652 ' CG2' ' CE2' ' A' ' 23' ' ' TYR . 3.1 t -88.15 116.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' A' ' 28' ' ' ALA . 1.7 mt -61.12 -11.95 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 39' ' ' ALA . . . 75.79 -56.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.82 -51.24 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -60.73 -35.33 76.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' CB ' HD13 ' A' ' 68' ' ' LEU . . . -57.17 -50.4 72.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.57 54.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.05 -53.84 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 6.1 t80 -59.93 -36.73 77.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' SER . 57.6 mt -55.47 -47.07 76.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -51.19 -20.83 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.2 mttm -80.22 13.7 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LEU . 57.8 p -89.27 -71.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 152.36 -26.17 0.87 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.474 HD11 ' CG1' ' A' ' 80' ' ' VAL . 10.4 mt -68.17 162.51 59.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -171.67 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.52 -37.84 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.541 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -58.97 -51.8 68.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.541 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 2.3 mm -63.75 -35.46 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.3 mt -63.19 -54.14 42.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.12 -42.37 2.33 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.454 1.097 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HB2' ' CG1' ' A' ' 89' ' ' VAL . 1.9 mmtt -60.12 -46.3 90.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.485 HG13 ' CG1' ' A' ' 89' ' ' VAL . 24.0 mt -53.54 -57.29 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' ALA . 11.8 t-105 -55.11 -55.47 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.08 -30.51 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 79' ' ' LEU . 1.4 tm? -87.94 -28.89 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -76.08 -62.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' ALA . 2.0 t70 -38.32 126.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -163.1 -42.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -49.47 -53.28 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.37 65.13 0.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 178.36 173.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . -91.53 29.36 7.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.543 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 57.4 t -133.33 144.06 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.483 HD13 ' CB ' ' A' ' 39' ' ' ALA . 21.9 mt -99.46 171.78 7.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -115.86 -152.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -87.23 -80.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 7' ' ' LEU . 28.6 mt-30 -51.26 -27.7 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -75.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 8.2 t80 -50.56 -26.1 4.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.662 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -76.45 -28.58 56.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.68 -54.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.34 -52.73 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.568 HD21 ' CE2' ' A' ' 103' ' ' PHE . 3.3 mt -46.68 -67.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.802 ' NH2' ' HH ' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -52.68 -29.53 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.448 ' CD1' HD13 ' A' ' 59' ' ' LEU . 1.1 tt -58.1 -42.41 85.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.474 ' CG1' HD11 ' A' ' 48' ' ' LEU . 71.6 t -53.75 -41.07 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.13 -23.56 55.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.49 -63.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.93 -21.92 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -69.04 -17.14 63.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.6 t30 -100.85 -15.09 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.56 6.16 53.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.72 166.86 22.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.62 165.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.485 ' CG1' HG13 ' A' ' 56' ' ' ILE . 33.4 t -99.89 -5.54 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 m -94.59 152.39 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.88 -22.33 62.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -17.44 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.512 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 82.8 p -106.76 -15.03 14.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 95' ' ' SER . 2.2 mm? -73.63 -178.91 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.9 t 86.42 20.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -118.15 -164.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.39 58.24 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 m -53.82 143.13 41.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.464 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -75.0 174.51 12.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 145.31 31.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.574 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.03 -164.69 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.67 -30.22 12.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 30.3 m-85 -38.73 161.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.407 ' CD2' ' H ' ' A' ' 105' ' ' ASP . 6.2 t-160 -66.21 173.81 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' H ' ' CD2' ' A' ' 104' ' ' HIS . 1.3 t0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.511 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . 2.0 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -32.05 146.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.575 HD23 ' CD1' ' A' ' 74' ' ' PHE . 4.9 mt -35.44 -40.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.1 m -47.48 -61.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.5 -31.4 63.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.72 -44.21 48.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.51 57.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 58.1 16.39 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 71.43 41.07 59.12 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.402 ' ND2' HG13 ' A' ' 18' ' ' VAL . 4.2 t-20 -62.87 124.58 84.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.784 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.97 -23.01 14.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.402 HG13 ' ND2' ' A' ' 16' ' ' ASN . 2.6 p -40.35 -49.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 29.0 m-85 -66.27 -36.67 83.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -52.73 -39.36 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -62.81 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -58.11 -47.58 82.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -54.14 -26.63 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -31.87 59.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -33.36 74.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.417 HG22 ' CG1' ' A' ' 34' ' ' VAL . 0.8 OUTLIER -88.14 -13.29 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -77.93 121.76 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.21 99.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.31 -165.34 31.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -92.56 34.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.7 p -64.67 -48.78 73.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.76 -10.31 14.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -119.09 132.93 56.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.522 HG22 ' CE2' ' A' ' 23' ' ' TYR . 51.7 t -82.21 114.21 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -56.95 -16.13 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.54 -52.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.55 -53.7 5.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -59.64 -34.69 73.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 36' ' ' ALA . . . -49.51 -57.0 7.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.89 -25.83 57.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.43 -56.42 8.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.507 ' O ' ' CG ' ' A' ' 45' ' ' LYS . 2.1 t80 -63.15 -40.68 98.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.8 mt -48.11 -46.14 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -25.04 2.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 4.0 mmmt -62.52 -14.09 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.427 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 97.3 p -69.74 -76.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.67 -17.73 1.45 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.451 ' CD1' HG11 ' A' ' 80' ' ' VAL . 12.1 mt -68.9 162.98 60.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.97 23.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.9 -33.55 45.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.437 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.55 -65.45 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.424 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -52.86 -37.24 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 6.3 mt -62.36 -50.78 70.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.51 -44.32 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -47.11 87.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CG1' HD21 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -56.47 -53.89 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.44 ' O ' ' N ' ' A' ' 61' ' ' ASP . 1.7 t90 -55.3 -55.6 29.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -39.51 29.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -76.42 -27.41 56.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -79.22 -69.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' TRP . 2.7 t70 -39.83 146.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 2.5 m -164.86 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.367 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.55 -50.97 71.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.59 -174.84 15.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tttt 71.56 -61.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 157.35 -54.53 0.39 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 21.2 t -39.21 149.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 87.6 mt -100.18 174.31 6.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -168.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -82.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.511 ' NE2' ' HA ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -53.84 -34.2 58.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 3.3 mt-10 -46.87 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 2.0 t80 -52.69 -46.1 67.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.5 m-85 -57.92 -27.9 63.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.0 t -77.6 -59.76 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.77 -27.41 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.541 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 1.2 mt -65.88 -75.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.429 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -51.11 -28.64 11.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.465 HD21 ' CG1' ' A' ' 56' ' ' ILE . 1.1 tt -55.37 -46.72 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.451 HG11 ' CD1' ' A' ' 48' ' ' LEU . 8.6 t -52.49 -40.91 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.98 -16.96 20.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -80.16 -65.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.06 -23.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.68 -26.31 68.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.469 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 17.6 t-20 -100.84 10.64 40.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.14 14.15 80.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.9 mt -77.75 159.67 28.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' OG ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -42.04 164.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 56' ' ' ILE . 16.8 t -105.52 2.1 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -94.12 164.29 13.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.443 ' HG ' ' CD1' ' A' ' 59' ' ' LEU . 4.8 mt -59.69 -22.46 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 t -68.07 -6.08 20.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.475 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -97.55 -11.3 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 95' ' ' SER . 10.3 mt -92.12 178.44 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.3 p 79.3 10.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -112.84 -168.17 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.6 61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 m -67.22 154.67 92.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.469 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -75.04 174.54 12.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 147.69 34.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.491 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.01 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -99.46 -30.82 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.541 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.6 m-85 -39.03 161.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.81 166.14 11.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.4 ' HB2' ' NE2' ' A' ' 71' ' ' GLN . 62.4 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.49 178.75 9.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.79 -34.33 60.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.8 m -56.36 -64.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -30.22 65.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -21.41 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -149.27 44.37 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.49 28.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 88.71 58.16 1.75 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.132 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 13' ' ' SER . 8.3 t-20 -134.23 104.6 11.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -1.05 10.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.558 1.82 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.2 p -48.87 -27.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.756 ' HH ' ' NE ' ' A' ' 78' ' ' ARG . 6.1 m-85 -66.97 -38.83 86.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -40.14 69.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -53.57 -44.76 69.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -74.78 -43.61 53.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' HG22 ' A' ' 34' ' ' VAL . 28.6 t80 -54.33 -26.51 30.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -90.37 -22.81 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.78 98.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -75.6 -45.18 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 18.8 tt0 -43.21 114.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' O ' ' OG1' ' A' ' 31' ' ' THR . . . -54.45 154.51 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.13 143.74 35.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.406 ' O ' ' CG2' ' A' ' 31' ' ' THR . 19.6 t-20 53.22 72.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 28' ' ' ALA . 17.9 p -154.27 -41.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.353 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.64 -10.34 38.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.47 158.12 45.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.585 HG22 ' CE1' ' A' ' 23' ' ' TYR . 46.3 t -83.3 106.67 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.526 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -54.21 -17.77 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.83 -48.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.11 -43.7 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -73.43 -37.52 65.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.463 ' CB ' HD11 ' A' ' 68' ' ' LEU . . . -55.21 -45.95 75.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.25 -29.59 70.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.33 -54.95 10.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -56.71 -33.85 66.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.68 -47.29 66.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -51.98 -21.36 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -69.12 -8.12 42.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 89.9 p -65.79 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.17 -24.93 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.44 1.087 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 3.3 mt -65.76 160.59 60.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.44 22.62 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -74.03 -23.12 59.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -60.34 -66.0 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.472 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.9 mt -55.8 -35.57 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.67 -44.41 90.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.95 -44.5 8.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' CB ' HG13 ' A' ' 89' ' ' VAL . 4.7 mmtt -63.49 -42.75 98.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.477 HG13 ' CG1' ' A' ' 89' ' ' VAL . 11.8 mt -56.58 -56.04 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' ALA . 18.9 t-105 -55.61 -56.16 23.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 107.994 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -45.15 -44.44 10.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -74.18 -31.19 62.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -70.36 -67.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' ALA . 15.7 t70 -37.92 128.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m -164.59 -42.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 110.376 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -50.6 -45.61 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.34 -60.55 0.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -79.9 153.79 28.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.1 -40.7 44.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 88.2 t -44.2 145.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 29.3 mt -99.74 171.08 8.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' CE1' ' A' ' 23' ' ' TYR . 1.7 m -121.08 -148.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 71' ' ' GLN . 17.1 mttt -83.68 -93.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.13 -50.55 1.39 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.26 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 3.7 t80 -56.84 -47.44 80.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.638 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -56.93 -19.8 19.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -85.28 -64.45 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.46 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . . . -43.82 -30.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.05 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.756 ' NE ' ' HH ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -52.2 -28.32 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.38 -41.42 80.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 56' ' ' ILE . 48.5 t -57.09 -38.54 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.51 -11.65 45.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.96 -69.67 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.403 ' CB ' HG23 ' A' ' 52' ' ' ILE . . . -52.76 -22.37 5.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.459 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.5 mm-40 -58.17 -28.64 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.459 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.9 t-20 -100.13 -13.84 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.94 14.19 29.69 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.9 mt -78.15 -179.97 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.489 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -59.78 169.59 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.477 ' CG1' HG13 ' A' ' 56' ' ' ILE . 20.7 t -111.78 -10.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 16.6 m -94.52 151.5 19.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.73 -26.78 67.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.6 m -53.0 -20.79 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.489 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.46 32.98 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -111.11 -175.75 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.9 p 71.19 37.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.21 -162.1 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.47 63.16 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.7 m -73.1 154.48 90.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.459 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -75.01 174.4 12.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.93 31.0 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.551 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.06 -164.63 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.68 -30.53 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.9 m-85 -39.03 161.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -66.18 140.12 58.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.628 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 11' ' ' GLN . 8.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.501 ' OG ' ' N ' ' A' ' 9' ' ' LEU . 6.2 t 166.06 -177.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 74' ' ' PHE . 4.4 mt -50.02 -38.43 37.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.6 m -46.72 -76.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' HB3' ' CD2' ' A' ' 7' ' ' LEU . 3.0 mm-40 -57.0 -33.95 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -13.94 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.1 37.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 38.75 29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 86.31 59.3 1.86 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 8.8 t-20 -130.76 104.15 15.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.05 -7.17 18.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 p -41.1 -51.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.2 m-30 -62.13 -37.85 86.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -50.81 -40.6 55.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.22 -62.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 9.5 m-85 -58.01 -48.14 80.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.557 ' CE2' HG22 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -54.01 -26.21 25.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -30.94 54.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -84.24 -14.7 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.37 144.48 51.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' CB ' ' CD1' ' A' ' 35' ' ' LEU . . . -114.49 148.35 37.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.99 -171.09 12.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -116.13 46.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 p -103.35 -21.47 13.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.05 14.28 60.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -111.54 144.23 41.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.557 HG22 ' CE2' ' A' ' 23' ' ' TYR . 25.8 t -91.54 119.03 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.1 mt -61.75 -12.54 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . 78.9 -55.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mp -44.32 -52.61 7.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -59.2 -42.95 92.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -50.8 -51.94 45.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.03 -24.52 39.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.45 -52.2 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 22' ' ' TYR . 18.4 t80 -57.76 -41.94 83.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.1 mt -56.28 -48.75 75.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -49.99 -22.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.4 mttm -81.0 19.08 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 59.7 p -93.14 -68.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.408 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.13 -37.27 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.105 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 HD13 ' CG1' ' A' ' 80' ' ' VAL . 4.7 mt -58.76 162.61 6.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.01 -164.82 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -96.4 -34.68 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.38 -54.01 51.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 mm -63.24 -34.74 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ILE . 6.1 mt -62.96 -53.52 52.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.43 -42.7 3.51 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' CB ' HG13 ' A' ' 89' ' ' VAL . 1.5 mmtp -63.81 -43.03 97.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.48 HG13 ' CG1' ' A' ' 89' ' ' VAL . 1.9 mt -57.13 -55.53 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' ALA . 15.6 t-105 -54.88 -55.12 33.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 107.983 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -45.73 -41.22 10.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -77.86 -30.28 50.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -71.91 -67.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TRP . 19.6 t70 -38.59 128.75 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 m -158.01 -43.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -61.88 -55.12 33.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.39 -106.96 0.19 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -175.76 166.22 3.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.267 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 76.79 -15.28 6.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 5.4 t -151.64 150.77 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.561 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 64.3 mt -104.87 160.14 15.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -94.75 -149.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -93.07 -97.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -45.89 -27.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -51.0 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -50.48 -43.31 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -61.43 -33.5 73.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.8 t -68.54 -49.86 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.35 -38.38 74.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -51.06 -70.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.495 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -53.16 -35.96 60.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 56' ' ' ILE . 3.0 tt -52.02 -39.6 59.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.447 ' CG1' HD13 ' A' ' 48' ' ' LEU . 46.7 t -57.51 -41.6 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.27 -17.14 57.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.94 -72.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 108.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.03 -22.57 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -58.45 -22.56 55.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -100.74 -18.11 16.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.12 10.06 24.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.88 168.91 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.544 ' N ' ' HG ' ' A' ' 93' ' ' SER . 1.4 tt0 -51.68 162.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.48 ' CG1' HG13 ' A' ' 56' ' ' ILE . 37.0 t -103.2 0.52 10.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 m -94.32 165.2 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.86 -20.18 14.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.2 m -67.33 -7.41 24.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.544 ' HG ' ' N ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -97.03 -17.23 20.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.4 mt -84.8 -179.57 7.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 p 73.77 8.19 4.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -110.39 -164.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.27 59.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.6 m -61.16 150.71 78.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.543 1.812 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.21 28.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.554 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.96 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 46' ' ' SER . 3.1 tpt180 -99.68 -30.89 11.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.7 m-85 -39.3 161.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -66.3 168.36 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.44 146.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.556 HD21 ' CD2' ' A' ' 74' ' ' PHE . 7.2 mt -44.73 -36.53 3.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 14' ' ' SER . 45.8 p -59.19 -48.5 81.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -73.79 -33.41 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -46.52 19.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.52 56.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 55.4 18.48 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 78.06 52.15 5.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -85.38 121.87 73.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.63 21.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.0 p -45.56 -40.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.607 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.9 m-85 -66.05 -38.11 87.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -31.56 32.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG3' ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -61.16 -45.65 93.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 15.1 m-85 -72.63 -45.53 58.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 13.3 t80 -54.26 -26.69 30.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -25.97 25.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.95 -38.72 89.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -73.19 -39.32 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 33' ' ' ARG . 1.8 tt0 -39.37 140.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.423 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -133.01 168.54 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.57 -166.88 53.9 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -122.72 34.73 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 p -96.92 -29.37 13.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.09 24.34 27.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 4.9 mtm-85 -129.49 168.53 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.528 HG22 ' CE1' ' A' ' 23' ' ' TYR . 64.7 t -97.36 112.99 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -61.23 -12.39 12.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.98 -54.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -44.25 -38.45 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -74.47 -39.66 62.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.494 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -56.12 -42.79 77.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . . . -69.45 -24.83 63.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -76.51 -48.14 20.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 58.0 t80 -62.25 -27.58 69.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' A' ' 45' ' ' LYS . 76.4 mt -73.86 -47.05 41.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -49.5 -23.01 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 43' ' ' LEU . 4.9 mmtt -62.38 -24.31 67.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.573 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 18.2 p -50.74 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 149.02 -19.12 1.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 28.9 mt -65.36 161.09 53.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -36.83 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -58.82 -52.61 64.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.51 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.4 mm -62.88 -35.15 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.4 mt -63.37 -56.73 13.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.57 -42.97 1.5 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -48.93 79.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.512 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 8.8 mt -54.1 -54.39 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.549 ' CZ3' ' HB3' ' A' ' 40' ' ' ALA . 29.1 t-105 -55.08 -53.94 49.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -44.14 -45.85 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.435 ' CD1' HD13 ' A' ' 79' ' ' LEU . 1.7 tm? -76.62 -29.11 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -67.89 -65.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 5.9 t70 -37.67 126.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 m -159.72 -43.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.73 -52.46 40.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.69 -64.58 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -77.32 159.36 29.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -53.33 -44.73 65.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 21.9 t -39.82 148.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.494 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 13.7 mt -100.67 -174.67 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -147.06 172.17 14.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -44.02 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -40.69 -51.9 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.65 -73.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 29.5 t80 -57.26 -34.41 68.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.607 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.3 m-85 -72.92 -5.45 38.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.3 t -101.89 -49.07 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.422 ' O ' ' CG2' ' A' ' 80' ' ' VAL . . . -57.08 -23.99 50.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.567 HD12 ' CE1' ' A' ' 19' ' ' TYR . 3.0 mt -59.1 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.485 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -50.86 -46.23 60.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -41.63 -44.5 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.47 HG13 ' CB ' ' A' ' 46' ' ' SER . 93.4 t -60.92 -47.81 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 78' ' ' ARG . . . -63.68 -16.35 60.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.453 ' SG ' ' CG1' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -71.14 -63.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.307 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.82 -17.46 49.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.441 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -70.82 -7.64 46.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.47 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.5 t-20 -117.68 -6.54 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 103.11 5.51 46.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 88' ' ' GLU . 88.2 mt -77.72 148.63 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' A' ' 93' ' ' SER . 6.5 tt0 -41.75 163.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.512 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 9.1 t -101.46 -6.37 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' A' ' 93' ' ' SER . 2.5 m -94.69 169.47 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 94' ' ' LEU . 5.3 mt -54.52 -21.03 8.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -16.49 20.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.497 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 14.0 p -104.56 -15.94 15.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.472 ' CD1' HD22 ' A' ' 91' ' ' LEU . 13.9 mt -85.08 176.83 8.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.4 p 81.78 2.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -109.41 -168.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.57 59.12 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.453 ' CG1' ' SG ' ' A' ' 82' ' ' CYS . 10.2 m -40.3 147.71 0.36 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.47 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -74.99 174.92 11.95 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.49 12.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.485 ' CG ' ' NH2' ' A' ' 78' ' ' ARG . 18.2 Cg_endo -75.02 -160.47 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -98.12 -29.54 13.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 14.1 m-85 -39.27 162.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.75 179.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.401 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -155.72 177.33 11.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.72 -32.94 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' SER . 5.5 m -50.0 -70.02 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.361 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -30.34 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.91 -48.89 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -148.87 45.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 54.08 15.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 86.2 59.44 1.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.431 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 24.2 t-20 -108.88 115.87 56.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.69 8.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 7.3 p -51.97 -50.42 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.605 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.4 m-30 -61.23 -34.83 75.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -36.61 61.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -40.92 94.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.614 ' HH ' ' HB3' ' A' ' 104' ' ' HIS . 95.6 m-85 -75.18 -45.47 40.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 5.9 t80 -54.21 -28.86 43.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -21.78 22.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.0 81.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -77.58 -34.48 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.4 tt0 -45.46 143.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -119.92 150.23 40.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.28 -172.44 54.46 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.56 48.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -107.29 -28.57 9.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.418 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.79 28.25 16.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.7 140.26 49.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 69.9 t -82.89 116.19 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -60.94 -12.38 11.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 84.45 -56.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -44.33 -44.45 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -64.98 -40.58 95.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.569 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -57.09 -43.05 81.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -21.86 66.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -83.02 -49.51 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 57.4 t80 -62.55 -35.44 79.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.19 -48.07 66.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -49.74 -23.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -62.61 -14.97 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.579 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 67.7 p -56.92 -67.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.45 -19.54 1.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.3 mt -68.72 160.79 75.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.79 -29.46 58.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -60.07 -62.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.477 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.6 mm -56.28 -35.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ILE . 7.2 mt -64.03 -47.75 79.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.44 -43.08 4.74 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.518 1.137 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -64.92 -41.55 95.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.525 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 25.8 mt -57.04 -53.6 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ALA . 34.1 t-105 -55.4 -56.77 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -44.3 -51.9 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 91' ' ' LEU . 1.3 tm? -68.64 -28.8 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -65.08 -61.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.4 t70 -39.75 126.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -171.42 -52.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.05 -48.36 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.71 141.34 4.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 tttm 72.51 173.93 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.18 -49.09 22.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 42.7 t -40.44 145.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.569 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 84.7 mt -101.9 174.43 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.7 m -127.99 -162.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -40.15 -49.06 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.58 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 5.6 t80 -57.64 -30.48 65.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.605 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.3 m-85 -75.48 -5.8 46.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -98.39 -52.21 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.94 -23.84 34.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.441 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 3.1 mt -61.32 -73.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.502 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -53.58 -42.19 67.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.83 -50.17 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.507 ' O ' ' CG ' ' A' ' 84' ' ' GLN . 32.5 t -58.18 -40.69 78.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 101' ' ' PRO . . . -69.0 -12.63 61.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.36 -61.22 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.274 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.22 -15.55 57.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -66.69 -17.89 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.443 ' CB ' ' HG3' ' A' ' 99' ' ' PRO . 10.7 t30 -112.41 -16.72 12.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.69 9.5 9.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' CD1' ' HD3' ' A' ' 99' ' ' PRO . 9.4 mt -77.43 150.44 35.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -44.82 163.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.525 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 21.2 t -103.95 -8.83 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.473 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 1.6 m -94.44 151.56 19.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.432 ' CD1' HD12 ' A' ' 59' ' ' LEU . 7.7 mt -64.48 -23.51 67.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.35 -19.99 3.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.42 36.56 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 90' ' ' SER . 4.0 mm? -117.04 -170.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER 83.23 -0.07 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.94 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -161.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.51 59.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.48 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 4.4 m -39.95 147.12 0.36 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HD3' ' CD1' ' A' ' 87' ' ' LEU . 18.4 Cg_endo -74.98 175.07 11.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 126.12 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 -161.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -98.97 -30.11 12.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 17.6 m-85 -38.57 161.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.614 ' HB3' ' HH ' ' A' ' 22' ' ' TYR . 1.2 m-70 -68.93 172.68 6.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.603 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.506 ' CB ' ' NE2' ' A' ' 71' ' ' GLN . 7.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.557 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.2 m -35.33 151.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 74' ' ' PHE . 1.1 mt -38.87 -43.12 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' CA ' ' A' ' 14' ' ' SER . 12.0 m -51.09 -52.34 44.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' SER . 1.7 mt-30 -73.64 -34.24 64.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.409 HD13 ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -49.36 -42.92 43.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.3 m -158.88 59.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.496 ' CA ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 39.0 29.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.31 58.5 3.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 39.5 t-20 -106.89 126.86 29.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 1.26 7.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -46.77 -49.17 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.624 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 m-30 -66.3 -32.66 74.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -31.02 64.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -42.23 98.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -78.27 -44.34 25.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE1' ' CG2' ' A' ' 34' ' ' VAL . 29.2 t80 -53.71 -24.97 16.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -97.45 -18.83 18.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -29.6 70.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG13 ' CB ' ' A' ' 42' ' ' PHE . 2.4 m -85.5 -47.2 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 4.1 tm-20 -38.49 145.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.64 121.28 44.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.53 -169.57 28.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.35 49.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.1 p -98.57 -41.93 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.97 27.1 6.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.6 128.82 37.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.595 ' CG2' ' CE1' ' A' ' 23' ' ' TYR . 21.1 t -88.82 112.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.53 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.4 mt -61.03 -12.36 11.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.6 -52.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -45.79 -43.46 13.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -33.41 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.477 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -54.53 -53.82 49.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.92 -24.84 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.92 -59.51 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.471 ' CB ' HG13 ' A' ' 26' ' ' VAL . 25.7 t80 -64.19 -40.37 95.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 46' ' ' SER . 78.7 mt -49.3 -48.09 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' A' ' 46' ' ' SER . 9.8 mtmt -46.31 -25.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 43' ' ' LEU . 7.5 mtmt -81.47 26.61 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.472 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 98.7 p -92.67 -81.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 167.01 -29.43 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 15.9 mt -71.83 160.82 81.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.63 2.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -82.8 -33.68 27.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.54 -67.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.429 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 7.8 mm -51.78 -37.78 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 8.0 mt -61.13 -52.02 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.31 -43.32 2.73 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -45.59 93.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.47 HG13 ' CG1' ' A' ' 89' ' ' VAL . 16.6 mt -54.72 -57.53 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.467 ' O ' ' N ' ' A' ' 60' ' ' ALA . 38.2 t-105 -55.28 -53.76 52.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -45.11 -41.11 7.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -80.67 -29.17 36.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.98 -62.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.9 t70 -38.44 128.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -156.79 -44.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -46.16 -46.0 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.37 61.12 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.35 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 146.71 -54.36 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 22.4 t -39.63 148.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 20.1 mt -99.51 171.62 7.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -138.25 -176.22 4.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -53.74 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.557 HE21 ' N ' ' A' ' 8' ' ' SER . 0.4 OUTLIER -38.11 -49.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.37 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 23' ' ' TYR . 82.8 t80 -54.59 -35.13 63.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.624 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.9 m-85 -74.5 -3.42 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.5 t -102.97 -56.41 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.77 -25.3 40.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.66 -71.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.532 ' NE ' ' HH ' ' A' ' 19' ' ' TYR . 1.8 mmp_? -58.07 -41.32 83.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 82' ' ' CYS . 1.3 tt -45.4 -42.8 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.2 t -54.59 -48.69 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.02 -17.9 20.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 3.8 t -69.39 -65.29 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.23 -19.73 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.469 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -70.99 -7.25 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 50.9 t30 -114.81 -7.54 12.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.37 7.06 59.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 mt -77.86 177.5 8.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.0 OUTLIER -56.92 173.49 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 56' ' ' ILE . 5.2 t -114.04 -10.18 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m -94.32 150.06 20.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.06 -25.1 65.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -55.27 -18.86 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.452 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.65 28.47 8.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 94' ' ' LEU . 4.2 mm? -108.69 -178.49 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p 76.08 33.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.5 -162.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.55 71.67 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.2 m -79.46 153.27 76.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.439 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.01 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 142.37 27.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.571 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.97 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -100.16 -30.76 11.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 27.5 m-85 -38.58 161.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -68.41 176.28 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.69 171.6 18.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 74' ' ' PHE . 88.9 mt -78.62 -33.05 47.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.478 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 4.5 m -55.98 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -33.73 71.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -45.32 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.05 59.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER 55.82 18.47 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.478 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.75 44.19 32.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.465 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 12.8 t-20 -69.82 117.92 58.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.03 16.29 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.465 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 8.8 p -54.9 -50.83 58.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 5.3 m-30 -64.24 -35.08 79.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -42.31 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.543 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -50.06 -48.68 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.545 ' HH ' ' HD2' ' A' ' 105' ' ' ASP . 92.8 m-85 -69.22 -49.72 53.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 3.0 t80 -53.4 -22.97 8.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.24 -24.91 24.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -61.81 -38.82 89.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -73.32 -43.56 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 2.8 tm-20 -38.92 142.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.12 139.72 42.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.51 -168.58 52.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -114.31 44.09 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.41 HG22 ' CG ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -98.02 -40.27 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.42 -17.28 23.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.41 ' CG ' HG22 ' A' ' 31' ' ' THR . 0.0 OUTLIER -85.52 139.53 31.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.512 ' O ' HG12 ' A' ' 67' ' ' VAL . 68.8 t -89.68 111.03 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.3 mt -55.06 -11.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 39' ' ' ALA . . . 80.63 -54.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.04 -53.03 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -59.5 -40.98 88.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.556 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -46.02 -55.41 6.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.05 -29.43 57.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -67.79 -52.55 35.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 34.1 t80 -62.38 -32.42 73.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.6 mt -70.92 -47.27 60.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.43 -21.21 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -79.94 11.43 3.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.49 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 56.3 p -86.15 -60.74 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.3 -38.31 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 5.9 mp -62.73 164.01 13.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -98.41 -27.94 13.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.79 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.466 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.7 mm -55.15 -35.81 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.38 -48.19 78.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.41 -44.61 5.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -60.66 -44.55 96.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.536 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 17.8 mt -57.11 -53.16 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.467 ' O ' ' N ' ' A' ' 61' ' ' ASP . 5.8 t-105 -55.12 -57.33 12.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.77 -30.75 6.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -83.25 -31.67 26.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -78.43 -65.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' TRP . 15.1 t70 -39.18 130.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -162.14 -43.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -40.9 -47.6 2.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.87 -61.82 0.65 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 155.11 18.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.1 -43.22 88.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.524 ' CG1' ' N ' ' A' ' 68' ' ' LEU . 2.2 t -51.49 165.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.556 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 90.3 mt -99.73 163.01 12.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.471 ' HB2' ' CG ' ' A' ' 72' ' ' GLU . 1.4 m -96.8 -145.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -98.36 -97.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.58 -31.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 69' ' ' SER . 68.9 mm-40 -46.28 -76.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -49.82 -43.03 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.1 m-85 -57.71 -26.93 62.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -78.66 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.431 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -42.86 -30.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -59.81 -73.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.5 mmp_? -59.48 -21.01 59.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.17 -43.13 99.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.78 -37.28 75.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.7 -19.63 51.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 87' ' ' LEU . 4.2 t -77.38 -72.92 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.252 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.82 -25.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.446 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.5 mm-40 -52.25 -33.72 42.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.6 t30 -102.52 24.8 9.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.58 16.86 70.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 72.1 mt -77.68 165.67 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.516 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 3.5 tp10 -50.24 162.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.536 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 2.7 t -107.51 -11.59 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 9.5 m -94.52 142.99 26.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.8 -26.12 57.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -19.97 5.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.516 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -121.45 33.45 5.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 94' ' ' LEU . 4.3 mm? -112.73 -178.13 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.2 p 78.45 27.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.45 -162.36 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.42 59.81 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.6 m -63.94 140.39 97.85 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.478 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.4 Cg_endo -74.97 174.35 12.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.6 30.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 17.9 Cg_endo -75.06 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -100.08 -31.04 11.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.1 m-85 -40.32 163.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -7.32 34.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.545 ' HD2' ' HH ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' C ' ' NE2' ' A' ' 71' ' ' GLN . 45.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -148.99 179.22 8.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.6 -35.33 52.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 14' ' ' SER . 4.2 m -51.22 -52.39 44.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -71.02 -33.46 70.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.33 -40.47 17.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -164.8 61.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 40.68 28.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 72.17 55.98 6.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -97.87 117.05 65.62 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.83 20.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.2 p -46.31 -36.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.79 ' HH ' ' CZ ' ' A' ' 78' ' ' ARG . 15.1 m-85 -66.55 -40.04 88.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -40.55 34.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.28 -64.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 14.8 m-85 -57.62 -43.98 85.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 33.7 t80 -54.24 -30.32 49.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -24.52 28.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -63.05 -40.12 96.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER -75.19 -42.21 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' VAL . 2.4 tt0 -38.69 132.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.79 149.2 24.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.3 -178.95 4.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -109.18 43.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.8 p -93.78 -32.08 14.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.85 24.02 10.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -135.17 143.3 46.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 1.6 p -95.51 115.59 34.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.573 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -60.07 -12.87 9.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 89.25 -56.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -40.33 -38.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -73.46 -48.35 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.551 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -48.75 -41.64 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.96 -30.64 70.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -66.18 -56.31 12.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 80.8 t80 -56.91 -33.66 67.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.2 mt -64.24 -47.7 78.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -20.31 6.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -76.21 -1.91 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 60.6 p -69.71 -70.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.58 -25.79 0.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.454 HD13 ' CG1' ' A' ' 80' ' ' VAL . 9.8 mt -67.02 162.61 52.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.13 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -94.67 -31.92 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.26 -60.2 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.472 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.6 mt -58.23 -35.32 52.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.4 mt -63.11 -51.27 67.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.68 -46.61 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -60.47 -43.72 96.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 14.8 mt -57.11 -53.82 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' ALA . 28.4 t-105 -55.16 -56.29 21.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 108.044 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.97 -44.58 15.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.83 -29.23 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -68.19 -62.82 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' ALA . 29.6 t0 -39.14 123.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.4 m -157.3 -44.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -46.61 -46.27 19.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.79 43.3 0.81 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.25 169.25 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' VAL . . . -64.57 -60.61 6.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 36.2 t -39.33 146.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.551 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 77.8 mt -102.12 169.42 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 m -123.99 -160.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -70.08 -93.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' VAL . 6.4 mt-30 -38.2 -47.7 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -43.4 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 9.8 t80 -59.49 -39.62 84.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.4 m-85 -64.69 -15.42 61.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.5 t -89.97 -63.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.44 ' O ' ' CG2' ' A' ' 80' ' ' VAL . . . -48.28 -26.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' A' ' 73' ' ' PHE . 1.1 mt -62.78 -75.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.79 ' CZ ' ' HH ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -55.01 -41.61 71.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 tt -43.94 -40.68 4.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.454 ' CG1' HD13 ' A' ' 48' ' ' LEU . 84.2 t -60.45 -44.31 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' ARG . . . -62.88 -15.94 56.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.88 -69.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.314 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.9 -20.15 14.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.446 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.2 -15.26 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.472 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 2.4 t30 -107.8 13.67 26.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.83 7.05 86.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 85' ' ' ASN . 4.3 mt -77.8 177.99 7.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 93' ' ' SER . 5.9 tt0 -53.03 161.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.519 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 7.3 t -105.48 2.14 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.2 m -94.61 160.55 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.78 -21.56 63.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.36 -47.25 72.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' A' ' 96' ' ' LEU . 50.1 p -74.24 -22.57 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.437 HD23 ' CG1' ' A' ' 98' ' ' VAL . 0.3 OUTLIER -63.06 -37.14 86.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.0 p -57.63 -19.87 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 7.6 mt -74.33 -167.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.42 56.78 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.437 ' CG1' HD23 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -42.64 132.8 2.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.471 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.1 Cg_endo -75.09 174.76 12.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 141.66 26.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.541 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.05 -164.45 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -100.08 -30.08 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 27.5 m-85 -38.52 161.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.61 174.06 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -40.12 159.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 74' ' ' PHE . 14.1 mt -39.86 -34.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.5 m -47.92 -71.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -32.95 70.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -45.58 -42.43 11.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -167.59 61.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 46.67 25.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.0 51.96 26.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -83.95 114.0 51.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.02 9.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -57.79 -39.8 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 8.1 m-85 -66.29 -32.35 73.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -32.43 57.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.566 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 1.6 ttpt -62.41 -37.94 87.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 9.1 m-30 -75.06 -54.74 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 2.6 t80 -53.39 -20.84 4.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -25.97 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -62.28 -35.25 78.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.8 OUTLIER -87.44 -29.47 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.5 tt0 -55.01 144.43 23.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -114.12 160.7 18.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.49 -175.04 1.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -118.76 48.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.1 p -101.41 -37.28 8.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.65 12.81 20.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -118.16 138.7 52.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.558 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 5.0 p -101.48 120.51 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.9 mt -63.36 -12.61 31.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.473 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . 81.3 -51.92 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ALA . 2.5 mm? -38.8 -39.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -71.34 -49.01 46.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.475 ' CB ' HD11 ' A' ' 68' ' ' LEU . . . -46.22 -43.22 15.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.39 84.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -65.43 -45.45 83.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -62.94 -38.37 90.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.82 -46.47 89.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -53.93 -21.58 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -76.12 -1.78 27.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 90.9 p -72.57 -74.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 164.84 -29.79 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.477 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 13.3 mt -72.85 161.87 77.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.01 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.448 ' HD2' ' N ' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -98.35 -24.8 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.54 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mm -47.8 -35.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 49' ' ' PRO . 5.4 mt -61.4 -46.84 88.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -46.32 -39.84 10.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -63.85 -41.87 97.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.286 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.468 HG13 ' CG1' ' A' ' 89' ' ' VAL . 55.2 mt -57.1 -56.98 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.533 ' CZ2' HD23 ' A' ' 68' ' ' LEU . 8.9 t-105 -54.37 -54.37 41.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.5 -29.43 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 79' ' ' LEU . 1.9 tm? -88.79 -29.52 19.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -74.97 -62.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' ALA . 2.0 t70 -38.77 129.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -159.43 -44.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.47 -47.77 38.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.28 -56.2 0.73 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.143 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' GLY . 1.8 ttmt -81.13 141.57 34.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -37.39 -42.82 0.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.558 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 53.9 t -40.4 146.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.533 HD23 ' CZ2' ' A' ' 57' ' ' TRP . 20.2 mt -100.25 169.24 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.5 m -126.24 179.22 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -54.14 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.15 -52.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -39.53 -71.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 6.1 t80 -57.25 -41.18 79.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.1 m-85 -61.41 -20.49 63.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.2 t -85.35 -64.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -44.36 -28.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.63 -77.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.477 ' CD ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -53.88 -31.15 48.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' CD1' HD13 ' A' ' 59' ' ' LEU . 1.6 tt -56.15 -40.18 73.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -57.11 -41.65 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 99' ' ' PRO . . . -60.24 -21.38 61.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -67.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.228 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.49 -21.92 4.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.477 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -69.97 -14.39 62.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 6.6 t30 -107.79 -14.91 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.75 5.49 56.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mt -77.6 164.11 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -41.61 163.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 56' ' ' ILE . 4.4 t -103.21 1.12 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -94.51 163.23 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.75 -21.34 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -51.02 -48.4 61.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.5 -22.85 60.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -36.93 85.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.5 p -51.99 -23.14 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.23 -166.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.13 73.16 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.9 m -54.47 146.55 32.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.478 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.1 Cg_endo -75.03 174.98 11.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 142.53 27.77 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.08 -165.28 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.802 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.7 -29.74 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 25.3 m-85 -38.38 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 105' ' ' ASP . 80.6 t60 -79.38 171.15 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.61 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m 177.16 174.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.573 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 3.9 mt -51.19 -39.7 57.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' GLY . 14.4 m -46.95 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.38 -32.36 66.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.12 -16.73 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -149.12 36.64 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.031 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.45 29.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' N ' ' C ' ' A' ' 13' ' ' SER . . . 89.22 58.46 1.66 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 5.3 t-20 -135.99 108.83 9.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.01 0.79 8.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.544 1.812 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 p -44.82 -39.3 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.031 ' HH ' ' CZ ' ' A' ' 78' ' ' ARG . 8.6 m-85 -66.58 -36.79 83.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -58.85 -34.33 71.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -51.89 -53.55 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.426 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.1 m-85 -68.17 -44.64 75.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 48.8 t80 -52.08 -27.52 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -83.96 -28.33 27.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -37.63 85.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.426 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -76.07 -40.28 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.1 tt0 -40.91 143.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -123.8 144.14 49.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.25 -169.85 54.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -119.01 49.87 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.1 p -108.08 -29.34 9.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.71 25.43 20.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -130.71 145.63 51.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 2.0 p -91.68 116.88 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.9 mt -57.61 -13.72 4.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 88.5 -55.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -47.85 -38.37 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -72.99 -32.11 64.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 68' ' ' LEU . . . -59.17 -40.41 85.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.03 -29.74 66.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 -55.23 27.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 22' ' ' TYR . 29.3 t80 -59.89 -40.82 90.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' SER . 79.4 mt -58.46 -46.37 86.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -20.08 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -78.42 2.46 18.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . 53.8 p -73.67 -69.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.01 -26.57 0.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 10.3 mt -64.4 163.08 28.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -97.23 -36.81 10.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.94 -54.31 47.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.49 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 mm -61.98 -35.21 67.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 10.3 mt -64.09 -52.03 61.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.64 -41.38 3.26 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -62.08 -43.93 97.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 0.713 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.475 ' CD1' HG21 ' A' ' 80' ' ' VAL . 8.5 mt -56.75 -57.53 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' ALA . 28.3 t-105 -55.23 -50.96 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -43.77 -45.98 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -80.07 -27.53 39.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -63.18 -59.53 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -37.67 140.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.64 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.61 38.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.02 -133.71 11.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' CE ' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -162.86 168.92 20.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 88.31 -16.48 52.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.565 1.166 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.432 ' CG2' ' C ' ' A' ' 66' ' ' GLY . 26.0 t -154.99 149.61 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 39' ' ' ALA . 7.5 mt -99.37 179.96 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.04 155.37 45.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' CG ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -47.58 -72.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' H ' ' CG ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -49.97 -60.38 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' VAL . 1.6 mm-40 -39.52 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 14.8 t80 -47.2 -42.68 20.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.2 m-85 -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -79.41 -56.13 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.52 -46.97 66.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.49 -63.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 1.031 ' CZ ' ' HH ' ' A' ' 19' ' ' TYR . 1.9 mmp_? -64.4 -33.33 75.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 59' ' ' LEU . 2.4 tt -55.92 -37.8 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 56' ' ' ILE . 92.2 t -60.5 -37.42 74.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 99' ' ' PRO . . . -63.59 -18.7 64.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.459 ' SG ' ' CG1' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -72.46 -70.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.41 -22.58 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.473 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.45 -13.52 30.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.455 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.8 t30 -109.8 -14.04 14.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.91 49.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.71 169.59 18.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.07 162.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.456 ' CG1' HG13 ' A' ' 56' ' ' ILE . 11.8 t -104.93 -0.02 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.2 m -94.41 164.33 13.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 94' ' ' LEU . 6.9 mt -60.72 -22.79 64.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -47.97 58.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -72.65 -23.94 60.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.47 ' CB ' HD21 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -62.4 -36.46 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.5 p -52.87 -22.68 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 mt -80.65 -167.62 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.21 74.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.459 ' CG1' ' SG ' ' A' ' 82' ' ' CYS . 5.7 m -53.06 144.61 27.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.455 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.04 174.88 12.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.79 24.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -162.94 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -101.86 -30.38 11.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 28.6 m-85 -38.47 161.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.65 137.07 57.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.615 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 71' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.89 152.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.405 HD12 ' CZ ' ' A' ' 74' ' ' PHE . 5.8 mt -59.87 -36.85 77.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' SER . 7.7 p -56.39 -49.58 74.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -32.55 58.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.52 -43.6 35.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.74 56.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 58.69 14.92 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.484 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 81.51 42.66 9.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.483 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 34.9 t-20 -71.17 118.19 63.49 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.26 21.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.483 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 14.2 p -46.03 -41.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.094 ' HH ' ' CZ ' ' A' ' 78' ' ' ARG . 15.8 m-85 -66.29 -37.69 86.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -38.14 34.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.03 -43.49 66.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 12.6 m-85 -74.4 -49.83 20.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 3.1 t80 -54.27 -28.3 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -29.11 35.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -32.9 72.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.527 ' CG2' HG22 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -86.81 -26.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.31 140.42 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.36 166.1 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.58 -170.55 1.3 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -124.27 52.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.2 p -111.94 -31.23 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.76 14.68 22.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -115.1 141.22 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.529 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 6.2 p -101.76 117.13 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.7 mt -61.95 -12.81 20.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.481 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . 81.68 -51.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ALA . 3.3 mm? -38.98 -46.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -64.43 -47.31 79.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -48.03 -38.97 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.07 -33.79 76.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -70.63 -47.83 58.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -55.25 -39.54 69.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' SER . 70.3 mt -55.67 -44.6 77.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -53.44 -23.12 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -78.82 2.7 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 79.5 p -78.17 -74.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.443 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 163.83 -30.29 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.462 HD13 ' CG1' ' A' ' 80' ' ' VAL . 16.4 mt -69.38 161.51 73.08 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.542 0.789 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -171.9 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -87.76 -33.41 18.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.45 -68.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.429 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.9 mm -51.31 -37.17 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ILE . 8.8 mt -62.49 -49.01 77.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.07 -39.91 3.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' CB ' HG13 ' A' ' 89' ' ' VAL . 16.5 mttt -65.56 -42.38 91.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' LEU . 17.1 mt -57.01 -56.19 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' ALA . 36.8 t-105 -55.43 -51.44 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -44.09 -44.22 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -81.03 -27.62 35.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.44 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.3 t70 -37.82 136.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.6 m -151.39 -44.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -60.0 -49.46 77.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.79 -66.89 0.49 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -41.08 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 174.65 -50.12 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 22.9 t -38.76 148.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.519 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 30.7 mt -100.31 163.43 12.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -111.05 -148.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -96.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -44.26 -29.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -49.64 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 4.2 t80 -51.15 -31.7 20.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.2 m-85 -69.99 -21.43 63.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.1 t -83.55 -62.2 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.38 -26.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -65.78 -74.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 1.094 ' CZ ' ' HH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -51.63 -29.91 19.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' CD1' HD13 ' A' ' 59' ' ' LEU . 1.1 tt -57.74 -43.55 85.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' A' ' 48' ' ' LEU . 85.0 t -54.72 -36.94 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 99' ' ' PRO . . . -63.88 -17.43 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.454 ' SG ' ' CG1' ' A' ' 98' ' ' VAL . 0.5 OUTLIER -76.98 -70.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.259 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.46 -23.4 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 2.3 mm-40 -56.27 -25.0 46.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -103.57 -16.71 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.95 12.95 21.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 mt -77.91 172.78 12.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 93' ' ' SER . 2.9 tp10 -51.29 161.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.478 HG13 ' CB ' ' A' ' 55' ' ' LYS . 34.7 t -104.24 -1.47 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.23 165.35 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.45 -21.37 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -51.34 -48.75 62.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.036 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 88' ' ' GLU . 86.1 p -73.3 -22.48 60.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -36.88 85.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.7 p -53.28 -25.02 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.08 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 93' ' ' SER . 1.4 mt -77.3 -163.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.78 64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.454 ' CG1' ' SG ' ' A' ' 82' ' ' CYS . 9.7 m -43.57 146.28 0.98 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 174.82 12.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 140.76 25.9 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.541 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -164.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.73 -30.15 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 27.6 m-85 -38.92 161.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.84 170.75 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.609 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 8' ' ' SER . 7.4 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.45 ' HA ' ' CG ' ' A' ' 71' ' ' GLN . 0.4 OUTLIER 163.78 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.55 ' CD2' ' CG ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -55.67 -41.92 74.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' SER . 6.4 m -47.51 -54.32 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -76.36 -32.11 58.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -42.04 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.41 58.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 54.79 18.63 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.48 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.23 29.88 55.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -55.82 121.06 37.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.47 7.72 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -56.74 -43.0 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 18.1 m-85 -66.77 -34.62 78.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -33.77 65.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -38.15 85.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 20.4 m-85 -77.79 -42.64 33.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CD1' ' CD2' ' A' ' 73' ' ' PHE . 13.8 t80 -54.04 -33.26 56.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -24.69 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -34.94 77.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -87.6 -25.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' HG3' ' C ' ' A' ' 33' ' ' ARG . 21.5 tt0 -61.77 117.12 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' CB ' HG22 ' A' ' 31' ' ' THR . . . -49.41 166.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.481 ' O ' ' CG2' ' A' ' 31' ' ' THR . . . -79.89 149.66 31.61 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 18.6 t-20 37.26 51.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 22.2 p -119.9 -38.41 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.92 -22.88 8.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' C ' ' HG3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -135.71 164.18 28.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.529 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 1.9 p -92.35 112.2 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.54 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -57.1 -15.0 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 86.56 -48.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -40.07 -45.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.1 m-20 -73.4 -41.82 62.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -51.69 -38.45 55.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.73 -32.37 69.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.12 68.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 83.8 t80 -66.42 -29.08 69.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 45' ' ' LYS . 72.3 mt -75.01 -46.74 33.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -20.9 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 43' ' ' LEU . 2.2 mmmt -71.06 -5.08 28.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.539 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 24.2 p -68.24 -55.95 10.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.23 -35.9 1.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 2.1 mt -60.69 162.35 12.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.45 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -95.23 -28.61 14.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.48 -61.07 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.45 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.8 mt -56.03 -37.2 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' ILE . 7.9 mt -63.6 -49.5 73.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.14 -44.94 3.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.462 ' CB ' HG13 ' A' ' 89' ' ' VAL . 6.5 mtmt -60.62 -45.46 93.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.734 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 60' ' ' ALA . 57.8 mt -55.87 -55.62 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.508 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 16.8 t-105 -55.35 -55.85 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 108.021 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.34 -29.52 4.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -88.8 -29.31 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -71.29 -58.91 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ALA . 37.8 t70 -39.48 126.0 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -164.64 -43.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -46.87 -40.24 13.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.88 11.39 16.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.52 142.24 26.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -43.8 -48.81 7.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 38.9 t -45.36 147.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.437 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 21.3 mt -102.12 173.55 6.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -128.24 -156.31 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -77.05 -88.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.45 ' CG ' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -38.02 -52.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -43.71 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' A' ' 23' ' ' TYR . 48.4 t80 -51.67 -32.17 28.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.8 m-85 -79.94 -0.88 36.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -104.46 -55.29 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . . . -56.61 -31.74 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.02 -72.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.489 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -55.4 -32.77 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 82' ' ' CYS . 2.0 tt -50.25 -48.27 54.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.7 t -51.68 -43.71 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.91 -18.38 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.6 t -73.49 -69.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 108.304 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.6 -21.41 3.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.428 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.5 mm-40 -62.13 -25.6 67.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 29.5 t-20 -100.17 -10.85 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.43 11.48 47.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 70.7 mt -77.81 179.26 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.41 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 5.2 tt0 -58.18 166.51 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' CG1' HG13 ' A' ' 56' ' ' ILE . 10.9 t -107.57 -10.16 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.46 141.42 28.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.066 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 3.8 mt -52.36 -24.34 7.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -53.28 -20.5 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.41 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -121.09 32.16 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.936 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 94' ' ' LEU . 4.4 mm? -111.35 -176.05 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 p 72.78 27.73 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.94 -165.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.25 61.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 m -72.25 154.68 92.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.465 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.1 Cg_endo -75.04 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 146.88 33.36 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.03 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 46' ' ' SER . 1.9 tpt180 -99.61 -31.36 11.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 22.8 m-85 -40.14 162.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 173.21 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -36.36 149.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.965 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.585 HD21 ' CD2' ' A' ' 74' ' ' PHE . 1.3 mt -57.4 -37.01 72.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' SER . 17.3 m -53.92 -51.08 64.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -33.08 57.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.44 -45.76 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.21 55.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 59.88 13.82 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 10' ' ' THR . . . 81.76 42.56 8.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.427 ' CG ' ' CG1' ' A' ' 18' ' ' VAL . 38.0 t-20 -67.35 126.1 92.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.01 -18.59 18.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.427 ' CG1' ' CG ' ' A' ' 16' ' ' ASN . 10.0 p -41.86 -44.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.703 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 17.8 m-85 -66.66 -38.83 87.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -54.83 -39.84 68.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.44 -52.8 15.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -67.59 -52.81 34.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 12.5 t80 -52.79 -23.07 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -24.65 28.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -63.96 -38.81 92.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 1.2 m -67.43 -34.5 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -38.98 146.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.23 169.0 18.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.08 -167.02 7.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -116.24 47.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.48 -29.54 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.38 -0.2 80.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -116.25 158.7 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.511 ' CG2' ' CE1' ' A' ' 23' ' ' TYR . 75.8 t -85.21 114.55 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.7 mt -63.51 -11.58 25.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 35' ' ' LEU . . . 85.19 -53.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -40.37 -57.79 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -57.71 -39.51 77.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.532 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -48.63 -53.28 19.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.82 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -71.5 -55.46 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.46 -29.77 59.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.04 -48.25 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -54.21 -19.95 6.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -78.29 1.41 21.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 91.2 p -74.94 -78.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 164.18 -27.26 0.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.0 mt -71.15 162.67 71.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.78 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.87 10.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.96 -30.23 44.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -60.07 -64.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.472 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.9 mt -56.6 -35.16 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ILE . 6.9 mt -62.63 -50.09 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.65 -44.67 4.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -61.85 -42.53 99.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.517 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 31.9 mt -57.19 -57.65 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.465 ' CH2' HD12 ' A' ' 68' ' ' LEU . 20.9 t-105 -55.51 -53.72 52.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -43.73 -46.5 7.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.416 ' O ' HD21 ' A' ' 59' ' ' LEU . 2.2 tm? -75.46 -30.64 60.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -65.36 -65.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.1 t0 -38.9 131.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -155.35 -46.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.8 -55.53 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.94 -116.65 0.42 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.21 163.44 15.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.49 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 85.37 -15.38 45.7 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -154.26 162.55 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 0.8 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.532 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 89.6 mt -120.36 158.18 27.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.429 ' HB2' ' HG2' ' A' ' 72' ' ' GLU . 56.1 m -91.03 -98.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.26 -63.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.519 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -54.47 -46.54 73.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' N ' ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -49.32 -70.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.4 t80 -53.16 -23.68 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.703 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.4 m-85 -77.22 -20.95 54.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.1 t -87.07 -56.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.8 -37.06 18.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.3 -68.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' NH1' ' OH ' ' A' ' 19' ' ' TYR . 5.2 mmp_? -64.6 -25.59 68.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.41 -38.71 77.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.507 ' O ' ' CG ' ' A' ' 84' ' ' GLN . 17.3 t -60.41 -51.16 76.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 99' ' ' PRO . . . -55.38 -24.26 28.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -66.17 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.305 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.25 -21.72 60.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -60.95 -13.89 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.475 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.9 t-20 -112.78 16.64 19.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.74 10.48 86.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.592 1.182 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.3 mt -78.31 167.64 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.495 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -50.46 170.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.517 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 16.3 t -115.03 -9.8 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.448 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 12.0 m -94.39 151.41 19.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.3 -23.75 67.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 m -58.76 -20.15 46.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.495 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -119.9 32.33 6.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 90' ' ' SER . 3.6 mm? -109.09 -169.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 95' ' ' SER . 6.9 t 64.38 38.81 7.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.71 -157.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.88 54.85 3.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.6 p -63.92 128.14 92.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.475 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -74.98 174.77 12.21 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.435 1.755 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.4 30.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.553 1.818 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.97 -165.32 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.809 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 15.9 ttt-85 -99.69 -30.05 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 28.6 m-85 -38.52 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -66.99 170.42 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.629 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.65 HD11 ' HB3' ' A' ' 70' ' ' LYS . 20.6 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' SER . 87.9 m -49.67 -70.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -59.46 -33.59 71.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.5 tm? -45.85 -40.9 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -166.71 61.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.941 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 41.67 28.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 68.28 51.65 31.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.661 ' CG ' HG12 ' A' ' 18' ' ' VAL . 11.3 t-20 -88.08 114.52 59.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.754 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.96 -12.38 21.6 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.661 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.6 p -45.08 -40.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 11.6 m-85 -66.32 -37.33 85.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -52.13 -35.19 47.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.55 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -55.62 -40.78 72.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 13.7 m-85 -76.38 -47.6 22.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CE1' HG21 ' A' ' 34' ' ' VAL . 21.7 t80 -54.17 -23.71 15.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -24.02 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.16 -37.84 86.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -78.75 -41.4 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -38.67 137.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -111.57 157.57 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.45 -165.55 53.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.02 55.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.7 p -114.35 -37.51 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.37 30.73 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -134.78 143.67 47.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.275 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.921 ' O ' HG13 ' A' ' 67' ' ' VAL . 44.4 t -90.01 114.54 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.702 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -61.83 -11.91 14.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 84.73 -54.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -43.64 -51.46 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -59.07 -37.52 77.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -49.88 -55.65 13.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.34 -31.12 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -65.92 -49.73 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.682 ' HB2' HG12 ' A' ' 26' ' ' VAL . 84.8 t80 -65.57 -33.94 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' SER . 80.1 mt -67.37 -48.25 68.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -21.03 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -78.34 2.49 18.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.4 p -75.24 -71.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 154.09 -28.17 0.72 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.621 HD12 HG13 ' A' ' 80' ' ' VAL . 9.0 mt -65.67 161.77 49.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 169.51 22.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.07 -31.6 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.5 -64.65 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.602 HG21 ' HB1' ' A' ' 83' ' ' ALA . 5.5 mm -54.89 -36.69 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.833 HD23 HD12 ' A' ' 56' ' ' ILE . 9.3 mt -61.65 -50.32 72.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.39 -43.96 3.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.715 ' HB2' HG11 ' A' ' 89' ' ' VAL . 8.9 mttt -60.34 -43.55 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.833 HD12 HD23 ' A' ' 53' ' ' LEU . 73.5 mt -56.93 -54.56 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.478 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 30.3 t-105 -55.45 -56.05 24.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -44.96 -51.11 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -69.83 -27.18 64.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -72.42 -70.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 30.3 t0 -38.26 127.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 m -160.93 -43.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.93 -46.9 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.36 -62.12 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -76.51 146.21 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -44.28 -46.99 8.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.8 t -39.73 148.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.536 HD12 ' HB2' ' A' ' 39' ' ' ALA . 90.4 mt -100.21 174.91 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.423 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -127.35 -150.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.65 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -83.24 -94.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.609 ' OE1' HD23 ' A' ' 12' ' ' LEU . 1.4 mm100 -39.98 -50.94 2.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -39.74 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 10.3 t80 -60.28 -42.99 96.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.635 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.9 m-85 -60.66 -19.16 57.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 76' ' ' ALA . 2.0 t -84.48 -65.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.07 -30.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -59.53 -77.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.449 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -53.56 -26.34 20.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.751 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.1 tt -57.48 -46.46 83.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 76' ' ' ALA . 59.5 t -54.13 -36.89 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -65.82 -13.75 60.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -75.51 -67.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 108.297 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.602 ' HB1' HG21 ' A' ' 52' ' ' ILE . . . -55.46 -19.91 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.31 -25.94 68.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.461 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 22.4 t30 -103.38 -9.2 19.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 97.64 12.82 46.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.495 ' CD1' HG12 ' A' ' 98' ' ' VAL . 94.0 mt -77.88 -178.97 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.796 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.7 OUTLIER -60.13 173.04 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 55' ' ' LYS . 13.3 t -115.06 -9.8 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.721 ' O ' HD23 ' A' ' 94' ' ' LEU . 37.7 m -94.53 153.44 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.601 ' HA ' HD23 ' A' ' 94' ' ' LEU . 8.0 mt -62.46 -24.68 67.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.9 t -56.28 -18.32 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.516 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -120.84 29.62 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.43 -177.69 3.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 p 72.89 35.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.516 HD11 ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -116.5 -161.96 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.47 57.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.495 HG12 ' CD1' ' A' ' 87' ' ' LEU . 15.7 m -68.2 156.81 89.17 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.489 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.05 173.88 13.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.99 145.95 32.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.512 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.92 -163.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -99.76 -31.08 11.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.0 m-85 -39.35 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -65.95 166.15 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.647 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 70' ' ' LYS . 40.0 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.2 m -49.24 -64.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.31 -33.92 75.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -45.23 -41.1 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -167.61 62.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 42.36 27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.987 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.85 52.86 17.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.649 ' CG ' HG12 ' A' ' 18' ' ' VAL . 18.5 t-20 -89.41 114.61 61.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.41 18.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.649 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.4 p -52.0 -38.66 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.637 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 12.0 m-85 -66.46 -34.68 78.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -39.63 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 22' ' ' TYR . 4.7 ptmt -49.19 -44.06 42.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CE1' ' HD3' ' A' ' 21' ' ' LYS . 12.1 m-85 -75.89 -46.8 28.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -51.45 -28.93 14.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -89.47 -24.05 21.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.48 -32.61 73.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.678 HG23 HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -85.72 -40.7 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -39.03 139.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.33 147.56 34.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.65 -170.48 51.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -121.62 51.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.8 p -107.32 -33.08 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.12 25.11 8.07 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -130.73 141.46 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.942 ' O ' HG13 ' A' ' 67' ' ' VAL . 71.0 t -91.99 115.92 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.698 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -61.3 -12.3 13.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.02 -50.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -44.27 -44.6 8.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -70.51 -35.81 73.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.626 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -57.46 -35.71 70.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.15 57.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.42 -47.21 35.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.565 ' HB2' HG12 ' A' ' 26' ' ' VAL . 22.2 t80 -61.84 -45.58 93.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 46' ' ' SER . 21.1 mt -52.3 -48.43 65.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' A' ' 46' ' ' SER . 1.9 mttm -47.44 -24.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -81.46 24.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB2' HG11 ' A' ' 80' ' ' VAL . 86.9 p -97.38 -74.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 160.29 -26.68 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.122 HD12 HG13 ' A' ' 80' ' ' VAL . 14.5 mt -67.66 161.85 62.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.94 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.798 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.57 -37.42 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -60.24 -54.1 49.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.677 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 mm -63.3 -34.68 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.787 HD23 HD12 ' A' ' 56' ' ' ILE . 8.6 mt -63.58 -51.82 63.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.11 -45.74 4.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -57.61 -44.31 85.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.787 HD12 HD23 ' A' ' 53' ' ' LEU . 47.3 mt -56.15 -54.49 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.64 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 26.9 t-105 -55.34 -55.87 26.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 107.956 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -43.45 -49.37 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 91' ' ' LEU . 1.6 tm? -71.06 -31.22 67.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.28 -68.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ALA . 23.2 t70 -38.75 126.98 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 m -161.78 -43.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.382 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -49.22 -47.54 46.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.49 -57.62 0.67 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -82.48 139.13 34.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.738 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.55 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -39.19 -41.28 1.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.942 HG13 ' O ' ' A' ' 34' ' ' VAL . 45.8 t -43.74 145.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.626 HD12 ' CB ' ' A' ' 39' ' ' ALA . 31.4 mt -99.94 171.16 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -123.99 -149.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.07 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.724 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -83.12 -90.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 9.5 mt-30 -39.28 -47.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.087 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -43.27 -72.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.44 -40.02 77.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.637 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -66.61 -10.76 49.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -93.41 -60.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.557 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -48.1 -28.07 2.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.712 HD23 ' CE2' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -61.14 -69.36 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.498 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -61.03 -25.86 67.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.767 HD21 ' O ' ' A' ' 89' ' ' VAL . 0.9 OUTLIER -57.77 -41.1 81.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.122 HG13 HD12 ' A' ' 48' ' ' LEU . 44.8 t -60.07 -40.28 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.706 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -61.88 -14.81 37.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.605 ' SG ' HG11 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -77.29 -68.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 108.292 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -56.0 -19.68 13.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -61.16 -23.28 65.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.467 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 21.0 t-20 -102.83 -11.46 18.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.06 10.44 39.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.484 HD12 HG12 ' A' ' 98' ' ' VAL . 72.4 mt -77.93 -179.69 6.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -60.71 165.44 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.767 ' O ' HD21 ' A' ' 79' ' ' LEU . 8.9 t -106.41 -10.74 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.607 ' O ' HD23 ' A' ' 94' ' ' LEU . 71.0 m -94.36 150.57 20.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.741 HD12 HD11 ' A' ' 59' ' ' LEU . 6.1 mt -58.42 -25.38 62.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 m -52.29 -20.91 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.496 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -120.45 32.05 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.2 mm? -109.75 -177.51 3.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p 74.8 31.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.443 HD11 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -115.79 -161.12 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.35 68.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.605 HG11 ' SG ' ' A' ' 82' ' ' CYS . 15.7 m -77.25 157.15 81.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.706 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 174.39 12.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.02 147.51 33.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.506 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.05 -163.52 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -99.65 -30.66 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.712 ' CE2' HD23 ' A' ' 77' ' ' LEU . 25.8 m-85 -39.04 161.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 171.22 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.75 HD22 ' CG ' ' A' ' 74' ' ' PHE . 14.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' SER . 1.7 t -48.55 -54.46 14.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' HG23 ' A' ' 10' ' ' THR . 1.2 mm-40 -76.18 -33.12 59.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -49.75 -38.32 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' ASN . 0.4 OUTLIER -170.17 60.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 44.88 26.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 67.42 40.46 91.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.686 ' CG ' HG12 ' A' ' 18' ' ' VAL . 8.8 t-20 -68.58 121.27 80.28 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -9.4 20.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.686 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.0 p -53.8 -43.76 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.631 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 19.0 m-85 -66.61 -35.02 79.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -38.04 82.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -52.53 -44.8 65.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -73.93 -50.65 19.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -54.11 -19.97 5.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -24.72 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -38.88 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.723 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -75.02 -40.73 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -40.61 143.89 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.94 139.89 53.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.95 -175.87 43.65 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -115.99 47.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 p -109.63 -27.17 9.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.82 32.66 10.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -134.54 139.62 45.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.274 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.899 ' O ' HG13 ' A' ' 67' ' ' VAL . 88.3 t -86.11 115.05 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.706 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.1 mt -61.57 -12.09 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.2 -56.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mp -43.06 -39.19 2.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -71.6 -44.77 63.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.592 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -47.63 -45.53 27.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.23 76.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -62.2 -52.98 61.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.637 ' HB2' HG12 ' A' ' 26' ' ' VAL . 37.0 t80 -64.05 -43.42 95.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 46' ' ' SER . 82.2 mt -56.35 -48.67 76.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -47.1 -25.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 43' ' ' LEU . 3.1 mtmt -81.44 25.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' LEU . 82.6 p -93.39 -74.02 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.6 -28.01 0.48 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.131 HD12 HG13 ' A' ' 80' ' ' VAL . 12.0 mt -67.91 160.42 74.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.69 12.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -77.03 -37.62 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.28 -63.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.451 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.8 mm -54.66 -36.76 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.2 mt -62.18 -51.53 67.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.66 -44.26 2.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -60.46 -45.9 92.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 14.8 mt -55.35 -52.87 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.528 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 26.7 t-105 -54.85 -55.29 31.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -45.3 -43.19 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.667 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.2 tm? -75.97 -30.52 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -71.26 -67.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TRP . 17.3 t70 -38.98 127.57 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.8 m -144.65 -45.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -48.26 -57.91 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 65' ' ' LYS . . . 103.77 82.53 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER 168.32 -42.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.326 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 145.81 -60.97 0.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.4 t -40.06 148.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.592 HD12 ' CB ' ' A' ' 39' ' ' ALA . 36.3 mt -100.37 -176.47 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -143.55 174.62 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.632 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -49.14 -92.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.546 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.54 -50.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -41.03 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.6 t80 -57.73 -40.76 80.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.75 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.7 m-85 -63.08 -16.7 60.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.3 t -89.43 -63.88 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -46.44 -26.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.487 HD22 HH21 ' A' ' 78' ' ' ARG . 0.3 OUTLIER -61.08 -76.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.487 HH21 HD22 ' A' ' 77' ' ' LEU . 1.1 mmp_? -56.08 -37.75 69.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.77 HD21 ' O ' ' A' ' 89' ' ' VAL . 2.2 tt -45.94 -42.28 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.131 HG13 HD12 ' A' ' 48' ' ' LEU . 39.3 t -61.14 -40.58 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.75 -17.3 34.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.552 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.6 OUTLIER -77.02 -67.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.281 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.604 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -48.58 -24.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.12 -13.13 23.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.4 t30 -115.07 2.45 14.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.93 10.37 75.62 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.07 164.29 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.459 ' N ' ' OG ' ' A' ' 93' ' ' SER . 1.9 tt0 -42.1 164.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.77 ' O ' HD21 ' A' ' 79' ' ' LEU . 15.6 t -108.11 -6.44 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.25 169.31 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.583 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.3 mt -55.12 -19.78 8.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -67.49 -6.5 19.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -94.8 -15.77 23.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 94' ' ' LEU . 9.2 mt -87.66 179.9 6.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.5 p 82.19 2.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.041 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.06 -166.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.08 56.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.552 HG12 ' SG ' ' A' ' 82' ' ' CYS . 23.2 m -52.2 146.13 16.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.776 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.06 174.07 13.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.97 143.51 29.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.557 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.98 -164.11 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 1.3 ttt-85 -99.62 -30.7 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 26.6 m-85 -39.32 161.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -66.35 166.64 11.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 70' ' ' LYS . 9.6 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.484 ' O ' ' CA ' ' A' ' 14' ' ' SER . 8.0 m -55.69 -52.19 64.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -32.74 59.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.85 -38.81 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -168.37 60.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.484 ' CA ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 44.05 26.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 71.51 51.81 15.1 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.689 ' CG ' HG12 ' A' ' 18' ' ' VAL . 23.9 t-20 -88.01 116.18 65.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.43 21.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.689 HG12 ' CG ' ' A' ' 16' ' ' ASN . 11.9 p -46.49 -38.97 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.631 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 12.9 m-85 -65.82 -41.22 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -39.84 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -44.95 -50.56 10.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 15.7 m-85 -70.24 -42.43 72.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.793 ' CE1' HG21 ' A' ' 34' ' ' VAL . 7.3 t80 -54.11 -29.25 44.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 -26.83 29.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -34.35 75.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -81.74 -35.66 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.1 tt0 -48.4 143.64 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.342 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -113.29 165.29 12.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.88 -168.66 1.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -120.54 47.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.8 p -99.98 -34.66 10.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.74 30.01 7.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -134.56 145.37 48.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.901 ' O ' HG13 ' A' ' 67' ' ' VAL . 55.3 t -93.21 112.61 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -59.7 -13.42 9.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 84.86 -54.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -41.74 -41.32 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -73.45 -42.19 62.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.815 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -52.23 -39.4 60.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.711 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -69.62 -30.0 67.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.92 -49.9 47.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 78.8 t80 -62.39 -34.39 76.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -68.87 -46.92 67.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -21.31 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.81 0.69 22.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.7 p -69.58 -72.88 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.415 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 159.67 -27.13 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.639 HD12 HG13 ' A' ' 80' ' ' VAL . 12.0 mt -68.9 162.13 66.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 168.27 25.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -75.7 -33.6 60.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.71 -67.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -51.41 -37.75 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.558 HD23 HD12 ' A' ' 56' ' ' ILE . 9.7 mt -62.13 -50.04 73.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.48 -46.89 2.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -58.74 -45.67 89.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.558 HD12 HD23 ' A' ' 53' ' ' LEU . 33.7 mt -56.66 -50.19 75.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.711 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 13.9 t-105 -55.38 -58.93 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -47.26 -39.66 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.598 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.7 tm? -74.77 -31.03 61.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -77.2 -69.05 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 57' ' ' TRP . 13.4 t70 -37.22 128.24 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 m -157.66 -44.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -43.98 -47.76 8.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.0 -63.54 0.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -72.82 140.2 47.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -37.94 -45.08 1.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.901 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.6 t -39.39 148.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.815 HD12 ' CB ' ' A' ' 39' ' ' ALA . 26.9 mt -100.58 170.17 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -127.3 179.27 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.684 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -54.31 -96.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.55 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.07 -50.45 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 3.9 mp0 -41.51 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.666 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 25.6 t80 -59.55 -36.74 76.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.6 m-85 -66.96 -17.0 64.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 76' ' ' ALA . 2.2 t -86.31 -66.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.991 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.88 -27.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.514 HD13 ' HD1' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -61.81 -78.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -53.06 -38.07 62.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.582 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.6 tt -49.11 -44.24 42.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.991 HG23 ' O ' ' A' ' 76' ' ' ALA . 73.0 t -55.6 -38.1 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -64.76 -12.67 49.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 6.9 t -73.75 -73.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -51.27 -25.23 5.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.416 ' N ' HD11 ' A' ' 48' ' ' LEU . 2.2 mm-40 -53.53 -30.35 41.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.462 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 3.7 t30 -108.86 21.16 17.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.09 13.82 73.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 74.8 mt -77.95 161.89 27.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.54 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -43.21 166.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.549 HG12 ' CG1' ' A' ' 56' ' ' ILE . 1.8 t -113.32 -13.23 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.811 ' O ' HD23 ' A' ' 94' ' ' LEU . 60.5 m -94.37 149.74 20.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD23 ' CB ' ' A' ' 94' ' ' LEU . 6.5 mt -63.26 -21.76 66.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.3 m -59.7 -15.26 18.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.54 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -126.02 32.49 5.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.811 HD23 ' O ' ' A' ' 90' ' ' SER . 4.1 mm? -111.96 -178.59 3.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.1 p 79.23 27.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.946 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.69 -160.52 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.57 70.35 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 m -78.02 148.14 74.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.518 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.551 1.816 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.79 32.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.529 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -163.82 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -99.76 -30.85 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 25.7 m-85 -39.0 161.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -67.9 169.33 10.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.569 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.911 HD22 ' CG ' ' A' ' 74' ' ' PHE . 15.8 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' GLY . 68.1 p -51.11 -64.31 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -57.2 -29.98 64.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -16.68 14.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -149.51 21.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.6 OUTLIER 58.92 16.05 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 104.36 52.16 0.89 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 7.0 t-20 -134.32 109.37 11.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.02 2.53 6.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 p -42.98 -36.76 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.003 ' CE2' HD13 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.7 -42.21 91.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -45.44 -39.37 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -51.66 -64.36 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-30 -56.76 -44.27 81.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -54.13 -32.36 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.6 -25.43 28.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -37.16 83.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.516 ' CG2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -78.92 -37.78 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -41.14 138.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -112.48 132.04 55.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.89 -171.2 42.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -121.84 51.44 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.9 p -113.37 -14.41 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.392 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.63 66.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.5 145.84 40.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.826 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.0 t -99.56 115.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.1 mt -62.29 -11.99 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 80.16 -54.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -41.08 -41.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -70.59 -45.41 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.752 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -50.24 -42.25 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.85 -30.88 71.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.81 -49.1 50.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 35.3 t80 -62.57 -37.41 86.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.0 mt -63.1 -43.81 97.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -22.19 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.96 -4.09 30.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.2 p -67.64 -73.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.55 -23.75 0.5 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.753 HD12 HG13 ' A' ' 80' ' ' VAL . 23.4 mt -70.92 161.24 79.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.511 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.97 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -31.39 12.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.83 -63.78 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.506 HG21 ' HB1' ' A' ' 83' ' ' ALA . 3.5 mm -57.21 -35.15 47.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 49' ' ' PRO . 5.4 mt -64.49 -45.0 89.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.85 -46.95 9.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -43.8 98.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.664 HG23 HD13 ' A' ' 79' ' ' LEU . 4.0 mt -57.02 -56.03 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.546 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 21.6 t-105 -55.32 -55.01 36.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -45.72 -42.12 11.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.883 HD11 HD12 ' A' ' 91' ' ' LEU . 1.7 tm? -77.15 -30.42 55.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.14 -61.29 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' ALA . 22.1 t70 -39.18 132.15 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -165.89 -42.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -62.42 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.17 115.35 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 163.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 85.09 -15.57 43.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.826 HG13 ' O ' ' A' ' 34' ' ' VAL . 6.2 t -152.71 150.23 12.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.774 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.752 HD12 ' CB ' ' A' ' 39' ' ' ALA . 49.0 mt -106.05 163.99 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.6 m -118.6 -174.09 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.483 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -59.89 -97.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.532 ' N ' HD21 ' A' ' 9' ' ' LEU . 38.6 mt-30 -37.5 -37.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -55.91 -25.77 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.911 ' CG ' HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -82.0 -2.07 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 91' ' ' LEU . 1.9 t -104.63 -51.92 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.887 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -57.06 -29.35 63.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.003 HD13 ' CE2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -51.57 -71.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.538 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 2.6 mmp_? -60.74 -41.45 95.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.664 HD13 HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -45.87 -40.68 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 76' ' ' ALA . 75.1 t -58.74 -43.99 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.32 -18.31 26.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -67.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.337 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.646 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -52.58 -21.47 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.464 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -69.31 -14.53 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 21.8 t-20 -109.36 -4.84 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.74 10.31 67.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.9 mt -77.85 -179.02 5.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 1.8 tp10 -59.28 163.15 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.511 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 3.1 t -105.57 -10.55 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.491 ' O ' HD23 ' A' ' 94' ' ' LEU . 14.6 m -94.53 140.74 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.883 HD12 HD11 ' A' ' 59' ' ' LEU . 5.7 mt -54.02 -25.24 20.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.6 m -54.31 -19.47 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.503 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.28 29.84 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.2 mm? -108.74 -177.36 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 p 74.59 32.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -113.99 -162.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.12 61.81 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 10.5 m -70.89 148.33 94.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.464 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -74.98 174.07 13.41 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.04 142.99 28.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.556 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.02 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 103' ' ' PHE . 1.4 ttt180 -100.67 -30.87 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 26.6 m-85 -38.85 161.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -65.9 146.12 55.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.547 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.733 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.6 mt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 14' ' ' SER . 8.4 m -52.99 -59.78 4.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -61.58 -30.39 70.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -45.52 -54.95 6.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -149.85 49.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 59.14 12.6 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 93.39 55.06 1.61 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.687 ' CG ' HG12 ' A' ' 18' ' ' VAL . 32.3 t-20 -106.8 118.32 54.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.59 8.72 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.687 HG12 ' CG ' ' A' ' 16' ' ' ASN . 9.3 p -56.1 -41.28 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.007 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -67.04 -35.16 79.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.051 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.543 ' OE1' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.53 -35.88 78.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -43.44 20.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.563 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 14.1 m-85 -71.13 -45.17 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.832 ' CE2' HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -54.33 -32.44 56.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -27.79 51.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.29 -34.74 78.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.69 HG23 HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.68 -10.57 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.78 140.38 58.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.494 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -129.21 156.27 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.91 -177.01 53.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.55 1.156 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -114.78 47.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.8 p -111.35 -30.58 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.57 27.31 15.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -128.6 155.91 44.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.917 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.9 t -86.69 111.14 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.655 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.9 mt -61.73 -12.35 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 81.8 -54.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -40.74 -57.98 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.67 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -58.41 -40.22 81.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -47.31 -51.56 18.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.86 -27.43 65.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -67.92 -50.15 57.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 46.5 t80 -66.14 -30.88 71.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.9 mt -64.59 -47.43 78.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -19.73 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -78.87 6.31 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.559 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 92.7 p -80.35 -78.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.987 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.43 -27.98 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.773 HD12 HG13 ' A' ' 80' ' ' VAL . 17.6 mt -66.54 161.12 62.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -75.02 -165.22 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.562 1.822 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -95.16 -35.41 11.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.642 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.76 -54.13 49.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.642 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.2 mm -61.39 -35.76 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 49' ' ' PRO . 7.8 mt -64.72 -50.12 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.33 -43.26 3.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.587 1.18 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HB2' HG11 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -63.63 -43.04 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.656 HG12 HD22 ' A' ' 79' ' ' LEU . 21.9 mt -57.21 -56.25 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.526 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 18.0 t-105 -55.48 -54.54 42.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 108.038 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -44.1 -46.66 8.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.865 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.06 -29.63 60.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -69.25 -67.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ALA . 1.1 t70 -37.85 126.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 m -160.17 -43.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -61.73 -39.05 90.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.91 173.0 18.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.89 -79.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 169.09 -44.09 0.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 34' ' ' VAL . 28.2 t -40.31 147.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.444 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 42.3 mt -100.99 174.11 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -129.62 -152.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.733 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -76.7 -89.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.62 -50.72 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.41 -67.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.704 ' CE1' HD12 ' A' ' 77' ' ' LEU . 2.0 t80 -58.67 -44.8 90.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.682 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -63.23 -10.98 17.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.6 t -94.61 -57.38 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.684 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -52.85 -29.62 29.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.007 HD13 ' CZ ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -65.55 -71.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.597 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -50.83 -41.47 57.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.656 HD22 HG12 ' A' ' 56' ' ' ILE . 2.2 tt -45.86 -44.76 14.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.773 HG13 HD12 ' A' ' 48' ' ' LEU . 83.3 t -52.59 -42.73 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.68 -18.76 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -72.82 -72.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.666 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -51.34 -22.41 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -59.66 -27.05 66.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 11.0 t-20 -99.98 -13.12 19.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.64 11.88 34.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.567 HD12 HG12 ' A' ' 98' ' ' VAL . 89.1 mt -77.85 176.53 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.484 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 4.5 tt0 -55.68 166.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.678 HG11 ' HB2' ' A' ' 55' ' ' LYS . 23.2 t -106.33 -11.79 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.621 ' O ' HD23 ' A' ' 94' ' ' LEU . 7.0 m -94.67 149.86 20.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.703 ' HA ' HD23 ' A' ' 94' ' ' LEU . 5.6 mt -57.1 -24.16 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -52.03 -21.24 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.484 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -121.49 32.49 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.3 mm? -109.2 -177.62 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 p 68.29 38.17 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.472 HD11 ' O ' ' A' ' 93' ' ' SER . 0.9 OUTLIER -117.25 -160.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.61 58.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.567 HG12 HD12 ' A' ' 87' ' ' LEU . 5.3 m -71.66 156.36 91.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.509 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 174.03 13.5 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.04 147.25 33.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.534 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.96 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.9 OUTLIER -99.89 -31.14 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.2 m-85 -39.28 161.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -65.9 174.96 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.571 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 70' ' ' LYS . 11.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' SER . 15.6 m -52.87 -51.66 60.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -33.0 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -42.55 31.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.99 57.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 54.92 18.56 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.449 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 75.48 37.08 41.99 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.627 ' OD1' HG12 ' A' ' 18' ' ' VAL . 5.7 t-20 -62.42 118.8 44.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.795 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.04 -21.52 15.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.627 HG12 ' OD1' ' A' ' 16' ' ' ASN . 13.4 p -42.39 -46.9 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.66 ' CE1' ' NH2' ' A' ' 78' ' ' ARG . 6.8 m-85 -65.19 -37.12 86.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -57.6 -34.65 69.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -50.79 71.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 37.7 m-85 -68.66 -45.34 72.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.8 t80 -54.13 -26.65 28.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.42 -23.24 24.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -64.84 -39.65 93.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.733 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -71.64 -38.88 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -41.75 129.49 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -117.59 164.65 14.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.72 -177.51 2.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -106.11 39.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.7 HG23 ' H ' ' A' ' 33' ' ' ARG . 2.0 t -90.79 -16.73 27.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.31 1.93 82.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.573 1.171 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.7 ' H ' HG23 ' A' ' 31' ' ' THR . 0.8 OUTLIER -120.35 160.38 23.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 110.314 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.922 ' O ' HG13 ' A' ' 67' ' ' VAL . 85.4 t -81.86 119.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.69 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.5 mt -61.46 -12.22 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.705 ' H ' HG12 ' A' ' 34' ' ' VAL . . . 84.67 -56.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.66 -46.84 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.656 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -65.82 -36.05 82.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.613 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.56 -52.47 47.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.71 -24.65 66.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -69.05 -56.71 6.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.613 ' HB2' HG12 ' A' ' 26' ' ' VAL . 50.1 t80 -66.02 -28.06 68.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.56 -48.9 36.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -54.36 -23.41 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -75.4 -2.75 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 59.1 p -66.11 -71.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 161.24 -26.82 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.072 HD12 HG13 ' A' ' 80' ' ' VAL . 16.1 mt -68.21 161.89 64.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -169.92 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -92.99 -36.2 12.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.497 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -59.82 -53.47 57.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.497 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.2 mt -61.78 -35.83 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.0 mt -64.22 -52.35 59.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.11 -50.15 2.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -46.03 88.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.874 HG23 HD13 ' A' ' 79' ' ' LEU . 5.2 mt -56.49 -53.13 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' ALA . 14.3 t-105 -55.66 -57.09 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.006 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -45.3 -43.51 10.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.067 HD11 HD12 ' A' ' 91' ' ' LEU . 1.9 tm? -74.28 -31.4 62.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -72.05 -68.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' ALA . 21.1 t70 -37.7 127.25 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.79 -44.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -56.71 -47.2 80.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.8 173.55 16.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.8 tttt 72.7 -75.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 165.49 -48.7 0.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.922 HG13 ' O ' ' A' ' 34' ' ' VAL . 41.9 t -39.98 145.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.613 HD12 ' CB ' ' A' ' 39' ' ' ALA . 71.9 mt -101.35 -169.19 1.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -147.61 -163.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' HB3' HD11 ' A' ' 9' ' ' LEU . 27.5 mttt -65.36 -91.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -43.17 -50.37 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.54 -68.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.717 ' CE1' HD12 ' A' ' 77' ' ' LEU . 29.0 t80 -61.71 -35.9 79.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.5 m-85 -70.36 -8.99 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.621 HG11 HD11 ' A' ' 91' ' ' LEU . 2.2 t -93.79 -56.9 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -54.3 -26.44 29.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.819 HD22 ' NH2' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -62.81 -74.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.819 ' NH2' HD22 ' A' ' 77' ' ' LEU . 9.3 mmp_? -50.58 -41.28 54.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.874 HD13 HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -44.71 -41.44 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.072 HG13 HD12 ' A' ' 48' ' ' LEU . 71.9 t -59.88 -41.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.843 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -61.78 -19.11 62.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.54 -72.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -53.68 -24.28 13.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 2.7 mm-40 -55.71 -18.98 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 5.8 t30 -115.39 20.23 14.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.31 12.1 82.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.7 mt -77.65 170.66 16.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.518 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 3.0 tp10 -52.33 169.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 24.7 t -111.06 -15.24 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' HD23 ' A' ' 94' ' ' LEU . 42.5 m -94.89 139.28 31.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.067 HD12 HD11 ' A' ' 59' ' ' LEU . 5.3 mt -51.4 -22.53 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -53.54 -20.23 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.518 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.8 29.41 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.566 ' CB ' HD23 ' A' ' 91' ' ' LEU . 3.5 mm? -108.34 -179.78 3.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.0 p 83.31 19.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.036 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.8 -161.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.7 59.13 3.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 4.0 m -64.05 142.43 98.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.843 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.02 174.71 12.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.93 148.3 35.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -165.13 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.442 1.759 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.58 -30.39 12.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.668 ' CE2' HD23 ' A' ' 77' ' ' LEU . 27.2 m-85 -38.93 161.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -65.63 143.21 57.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.592 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.1 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' SER . 14.6 p -47.89 -53.48 15.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.436 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -31.94 58.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.44 -42.82 43.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.2 56.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 57.52 16.78 3.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.433 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.3 43.08 39.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.704 ' CG ' HG12 ' A' ' 18' ' ' VAL . 10.5 t-20 -66.03 122.15 79.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.03 -19.57 17.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.704 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.0 p -43.65 -44.93 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.8 m-85 -65.87 -35.21 80.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -60.14 -34.07 73.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -58.28 -44.0 88.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -74.56 -47.23 33.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.5 t80 -53.75 -23.33 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.36 -22.51 18.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.31 -37.59 86.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.604 HG23 ' CG2' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.04 -24.34 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.93 138.7 57.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.2 165.9 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.29 -175.41 2.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -116.02 33.47 5.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.3 p -83.57 -36.46 23.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.13 21.74 10.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.11 149.03 52.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 0.727 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.938 ' O ' HG13 ' A' ' 67' ' ' VAL . 4.6 p -101.5 110.15 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.715 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -56.6 -15.95 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.42 -47.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' ALA . 8.2 mp -38.27 -50.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.549 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -65.47 -45.24 84.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -46.65 -49.98 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -58.52 -31.12 67.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.02 -52.44 24.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.502 ' HB2' HG12 ' A' ' 26' ' ' VAL . 47.8 t80 -55.35 -46.63 76.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.2 mt -49.16 -48.67 44.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 46' ' ' SER . 2.9 mttp -50.44 -21.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.0 mttm -80.94 19.02 0.91 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 82.9 p -93.24 -75.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 168.03 -30.59 0.17 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.887 HD12 HG13 ' A' ' 80' ' ' VAL . 16.2 mt -67.17 161.71 61.16 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -168.48 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -93.08 -37.6 12.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.529 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.44 -51.38 70.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.529 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 mt -64.41 -35.04 73.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.3 mt -63.17 -55.01 28.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.69 -46.4 2.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -58.87 -45.34 90.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.524 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 8.9 mt -56.97 -56.53 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.66 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 15.8 t-105 -52.95 -53.95 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -24.91 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.886 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.5 tm? -94.49 -27.52 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -78.39 -60.45 2.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 60' ' ' ALA . 4.8 t70 -38.51 128.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -143.47 -45.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -51.87 -43.52 63.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.21 -66.53 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -41.58 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.6 -46.58 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.938 HG13 ' O ' ' A' ' 34' ' ' VAL . 46.2 t -40.89 146.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.629 ' HB2' HG11 ' A' ' 34' ' ' VAL . 26.9 mt -101.04 175.47 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.4 m -133.36 -166.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.759 ' HB3' HD11 ' A' ' 9' ' ' LEU . 16.6 mttt -64.71 -91.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.14 -51.05 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -40.12 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 40.6 t80 -60.63 -32.93 72.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.9 m-85 -72.75 -8.22 54.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 76' ' ' ALA . 1.8 t -94.78 -63.47 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.491 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -49.72 -27.02 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -57.86 -75.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -56.64 -37.37 70.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.551 ' CD1' HD12 ' A' ' 59' ' ' LEU . 2.1 tt -46.05 -43.92 14.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.887 HG13 HD12 ' A' ' 48' ' ' LEU . 4.6 t -58.09 -44.65 87.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.656 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -57.98 -23.06 52.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -70.29 -63.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.64 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -56.24 -19.72 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -5.66 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.481 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 53.2 t30 -107.88 -15.78 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.02 3.06 36.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mt -78.89 173.77 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -50.47 169.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.524 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 25.5 t -107.19 -0.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -94.67 165.36 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.886 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.4 mt -57.27 -18.98 19.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -7.18 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.172 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -95.5 -21.46 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.626 HD12 ' CD2' ' A' ' 91' ' ' LEU . 9.0 mt -77.42 -179.19 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 p 72.45 11.3 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 93' ' ' SER . 2.1 mt -114.05 -162.39 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.36 55.48 2.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 p -56.51 132.39 77.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.656 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 175.08 11.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -74.97 140.99 26.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.56 1.821 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.555 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.06 -164.29 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.83 -30.26 12.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 30.2 m-85 -38.46 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -67.03 142.99 57.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.241 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 70' ' ' LYS . 2.7 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 14' ' ' SER . 20.4 m -58.28 -47.43 83.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -32.95 58.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -47.84 -43.72 28.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.43 56.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 57.66 16.44 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.98 51.18 5.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.638 ' CG ' HG12 ' A' ' 18' ' ' VAL . 39.3 t-20 -83.57 120.53 75.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -74.99 -14.85 21.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.793 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.638 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.2 p -43.38 -36.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.657 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 5.8 m-85 -67.0 -42.17 85.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -48.69 -36.74 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -65.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 11.7 m-85 -56.61 -45.32 81.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 3.3 t80 -54.76 -28.74 50.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -86.41 -22.4 26.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -31.3 71.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.616 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -88.27 -30.9 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -48.96 144.21 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.245 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.579 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -141.15 168.15 20.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.44 171.88 1.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -92.35 22.32 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.735 HG23 ' H ' ' A' ' 33' ' ' ARG . 1.7 t -74.14 -30.12 62.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.28 7.48 82.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.735 ' H ' HG23 ' A' ' 31' ' ' THR . 3.2 mtt180 -123.97 171.5 9.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.91 ' O ' HG13 ' A' ' 67' ' ' VAL . 71.4 t -85.23 118.71 32.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.654 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.0 mt -63.01 -10.96 15.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.69 ' H ' HG12 ' A' ' 34' ' ' VAL . . . 80.6 -55.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -44.5 -50.36 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.593 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -66.81 -37.15 83.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -50.52 -46.9 57.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -64.47 -29.33 70.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -63.49 -60.42 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 52.5 t80 -66.26 -49.82 65.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.8 mt -49.38 -45.96 46.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -53.8 -23.06 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.519 ' HD3' ' CG ' ' A' ' 104' ' ' HIS . 23.1 mttm -76.59 -1.34 27.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.804 ' HB2' HG11 ' A' ' 80' ' ' VAL . 92.0 p -60.08 -70.12 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.59 -23.52 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.905 HD12 HG13 ' A' ' 80' ' ' VAL . 44.1 mt -73.29 159.72 84.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.682 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.03 -168.35 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.63 -36.0 19.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.761 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.41 -67.52 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.417 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 8.8 mm -52.32 -37.24 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 49' ' ' PRO . 12.0 mt -60.62 -51.88 67.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.93 -44.58 2.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -44.59 95.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.703 HG23 HD13 ' A' ' 79' ' ' LEU . 29.9 mt -53.71 -55.32 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 5.9 t-105 -55.08 -56.81 15.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.2 -40.5 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.692 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.9 tm? -75.98 -32.1 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.25 -61.65 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.1 t70 -38.97 126.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -174.26 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.97 -63.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.04 -130.94 5.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.35 -49.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . -110.04 12.04 31.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.445 1.091 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 34' ' ' VAL . 41.5 t -142.23 145.83 23.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 39' ' ' ALA . 35.4 mt -101.55 -167.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.66 174.71 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.82 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -46.77 -90.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -38.44 -53.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.76 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 48.4 t80 -53.35 -33.47 53.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.0 m-85 -67.12 -20.73 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 76' ' ' ALA . 1.7 t -84.72 -65.64 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.47 -28.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.953 HD23 ' CZ ' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -62.46 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.503 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -53.11 -22.34 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.873 ' HA ' HD11 ' A' ' 94' ' ' LEU . 1.2 tt -60.54 -40.24 90.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.905 HG13 HD12 ' A' ' 48' ' ' LEU . 56.0 t -56.12 -43.06 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.892 ' HB2' ' HG3' ' A' ' 101' ' ' PRO . . . -56.53 -18.26 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.0 t -72.41 -68.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -58.49 -23.37 57.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -53.45 -28.58 31.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.65 -18.62 17.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.41 11.09 20.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.82 179.47 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.404 ' HB3' ' CB ' ' A' ' 93' ' ' SER . 3.7 tt0 -57.82 170.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.519 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 3.2 t -116.04 -3.75 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.736 ' O ' HD23 ' A' ' 94' ' ' LEU . 47.9 m -94.48 151.58 19.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.692 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.5 mt -59.44 -21.33 59.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -61.63 -13.77 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.025 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.435 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -128.3 32.31 4.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.873 HD11 ' HA ' ' A' ' 79' ' ' LEU . 4.2 mm? -110.19 -177.83 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 p 65.92 37.45 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.962 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 93' ' ' SER . 6.1 mt -106.73 -156.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.4 58.75 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.0 m -75.86 157.19 84.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.33 12.96 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.81 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.88 3.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.892 ' HG3' ' HB2' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 150.99 38.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.615 ' O ' ' CD2' ' A' ' 103' ' ' PHE . 3.6 mmt180 -99.3 167.62 10.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.953 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 51.1 m-85 -168.79 179.29 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.519 ' CG ' ' HD3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -82.06 169.33 16.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.617 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.787 HD22 ' CG ' ' A' ' 74' ' ' PHE . 26.0 mt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 14' ' ' SER . 1.0 OUTLIER -47.81 -53.66 14.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -31.7 58.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.3 tm? -49.3 -42.86 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.2 56.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 58.09 16.3 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.49 34.1 57.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.738 ' CG ' HG12 ' A' ' 18' ' ' VAL . 9.3 t-20 -52.92 113.62 4.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.02 -19.06 18.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.738 HG12 ' CG ' ' A' ' 16' ' ' ASN . 7.4 p -47.64 -48.66 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.69 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -67.09 -34.55 77.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -57.08 -43.4 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -45.47 -45.03 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 96.9 m-85 -69.13 -45.53 69.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.645 ' CE2' HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -54.53 -32.93 59.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' NH2' ' O ' ' A' ' 29' ' ' GLY . 1.7 tpm_? -71.59 -33.74 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -61.77 -33.78 74.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.605 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -87.71 -40.14 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.3 tt0 -60.61 141.12 57.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -106.33 160.52 15.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.411 ' O ' ' NH2' ' A' ' 24' ' ' ARG . . . 54.62 171.56 0.06 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.12 32.14 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 0.808 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.2 p -86.45 -32.65 20.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.48 29.71 8.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -124.48 130.8 53.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 67' ' ' VAL . 41.3 t -81.82 114.28 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -60.72 -11.98 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.741 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 79.62 -54.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.6 -51.13 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -66.7 -37.39 84.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.566 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.19 -48.11 62.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -26.69 68.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -72.54 -48.18 42.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.605 ' HB2' HG12 ' A' ' 26' ' ' VAL . 14.2 t80 -64.57 -42.1 95.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 46' ' ' SER . 72.8 mt -50.85 -47.35 60.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' A' ' 46' ' ' SER . 2.6 mtmt -51.44 -21.5 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -80.36 13.25 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . 60.6 p -89.46 -72.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.449 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.47 -32.84 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.863 HD12 HG13 ' A' ' 80' ' ' VAL . 8.1 mt -68.69 161.17 73.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.86 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.0 -171.63 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -89.91 -24.29 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.823 HD12 HG12 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -58.44 -79.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.823 HG12 HD12 ' A' ' 51' ' ' LEU . 2.5 mm -47.85 -35.74 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.86 HD12 ' O ' ' A' ' 49' ' ' PRO . 7.3 mt -59.5 -49.93 75.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.88 -38.54 5.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -65.25 -41.76 93.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 0.727 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.714 HG12 HD22 ' A' ' 79' ' ' LEU . 28.0 mt -57.23 -55.76 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.741 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 18.2 t-105 -55.01 -53.95 49.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 108.021 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -44.93 -42.94 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.962 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.8 tm? -78.58 -29.31 46.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.521 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -69.96 -66.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 32.3 t70 -37.8 128.04 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -156.05 -44.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -45.66 92.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.97 69.13 1.42 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.655 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -164.55 30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . 44.96 27.09 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 34' ' ' VAL . 80.7 t -136.84 143.2 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.566 HD12 ' CB ' ' A' ' 39' ' ' ALA . 22.8 mt -98.86 174.12 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.3 170.68 14.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -46.49 -87.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.07 -57.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.55 -73.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.598 ' CE1' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -49.53 -36.28 22.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.787 ' CG ' HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -71.63 -19.39 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -82.38 -56.55 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.504 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -50.8 -48.31 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 42' ' ' PHE . 2.6 mt -47.13 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.465 ' NE ' ' OH ' ' A' ' 19' ' ' TYR . 1.5 mmp_? -55.43 -31.41 61.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.714 HD22 HG12 ' A' ' 56' ' ' ILE . 2.8 tt -56.1 -42.18 76.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.863 HG13 HD12 ' A' ' 48' ' ' LEU . 86.3 t -56.26 -38.95 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.35 -15.32 57.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.9 -72.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.02 -25.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.69 -22.5 46.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -100.86 -25.26 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.72 8.43 15.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 mt -77.63 160.61 28.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.68 161.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.706 HG21 HG23 ' A' ' 52' ' ' ILE . 38.7 t -99.57 1.71 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -94.39 165.13 12.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.962 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.7 mt -56.91 -18.89 14.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.46 -8.64 27.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 58.9 p -98.66 -15.24 19.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 91' ' ' LEU . 10.0 mt -86.82 179.56 6.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.7 p 75.5 4.03 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -109.9 -167.03 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.62 71.84 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.6 m -73.11 151.63 90.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.701 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.01 174.24 13.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.1 Cg_endo -75.03 144.96 30.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.558 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.98 -163.69 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.74 -30.89 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 28.4 m-85 -39.11 161.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -68.88 172.12 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.577 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.645 ' CD2' ' CG ' ' A' ' 74' ' ' PHE . 3.9 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 14' ' ' SER . 10.2 m -48.53 -48.36 38.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -34.06 59.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.546 HD23 ' OE1' ' A' ' 71' ' ' GLN . 3.2 tm? -46.49 -44.33 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.22 57.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 58.42 15.71 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 75.43 32.17 55.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.665 ' CG ' HG12 ' A' ' 18' ' ' VAL . 7.1 t-20 -50.23 118.42 9.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.759 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -75.04 -23.8 13.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.665 HG12 ' CG ' ' A' ' 16' ' ' ASN . 12.3 p -41.83 -50.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CZ ' ' NH1' ' A' ' 78' ' ' ARG . 4.5 m-85 -65.32 -34.42 78.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -55.23 -35.18 64.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -43.66 84.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -74.69 -47.18 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 t80 -54.59 -22.01 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -23.17 19.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.48 -38.53 87.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.56 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -76.03 -42.5 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.07 143.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.433 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -112.92 132.4 55.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 -169.91 44.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.03 46.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 p -105.35 -20.02 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.407 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.57 4.51 85.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -101.71 130.5 48.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.763 ' O ' HG13 ' A' ' 67' ' ' VAL . 92.6 t -84.61 106.93 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.7 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.2 mt -55.83 -17.16 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.36 -51.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ALA . 2.3 mp -40.06 -49.8 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.611 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -67.25 -42.04 84.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.518 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -46.54 -51.78 14.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -59.8 -30.19 68.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -66.22 -52.85 43.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.447 ' HB2' HG12 ' A' ' 26' ' ' VAL . 34.9 t80 -64.98 -37.52 87.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 40' ' ' ALA . 54.2 mt -55.91 -49.66 72.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.455 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -48.25 -23.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -81.48 23.75 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.509 ' HB2' HG11 ' A' ' 80' ' ' VAL . 84.8 p -92.78 -77.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 161.08 -28.47 0.3 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.061 HD12 HG13 ' A' ' 80' ' ' VAL . 12.9 mt -67.31 161.65 62.41 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.431 0.724 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.54 -35.93 63.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.8 -62.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.96 HG23 HG21 ' A' ' 89' ' ' VAL . 5.7 mm -56.68 -35.79 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.684 HD23 HD12 ' A' ' 56' ' ' ILE . 11.5 mt -62.1 -51.52 67.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.48 -37.94 3.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -41.03 91.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.692 HG12 HD22 ' A' ' 79' ' ' LEU . 36.7 mt -56.89 -56.46 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.676 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 16.3 t-105 -55.61 -55.96 25.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -47.91 -31.49 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.69 HD11 HD12 ' A' ' 91' ' ' LEU . 2.3 tm? -86.93 -29.35 22.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -75.7 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' TRP . 33.5 t70 -37.41 125.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -153.02 -44.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -61.55 -44.15 97.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.8 177.37 22.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt 74.69 -62.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 153.03 -50.14 0.51 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 34' ' ' VAL . 19.2 t -39.47 150.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.518 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 82.8 mt -101.83 163.27 12.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -109.31 -161.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -68.81 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.546 ' OE1' HD23 ' A' ' 12' ' ' LEU . 2.6 mm-40 -45.43 -34.07 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.01 -71.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 8.1 t80 -57.44 -48.61 78.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.645 ' CG ' ' CD2' ' A' ' 9' ' ' LEU . 1.7 m-85 -54.44 -25.94 27.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -75.48 -58.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.516 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -46.37 -27.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.714 HD23 ' CE2' ' A' ' 103' ' ' PHE . 1.9 mt -63.38 -77.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.646 ' NH1' ' CZ ' ' A' ' 19' ' ' TYR . 7.3 mmp_? -49.67 -38.41 32.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.789 HD21 ' O ' ' A' ' 89' ' ' VAL . 0.8 OUTLIER -46.37 -50.81 16.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.061 HG13 HD12 ' A' ' 48' ' ' LEU . 10.3 t -61.76 -45.64 98.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.611 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -56.11 -27.02 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.463 ' CA ' HG23 ' A' ' 98' ' ' VAL . 3.4 t -74.69 -63.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 108.302 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.84 -18.46 44.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 1.9 mm-40 -60.39 -13.86 15.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.3 t-20 -99.88 -10.56 21.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.7 4.24 49.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.81 174.31 11.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.485 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -43.83 166.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.96 HG21 HG23 ' A' ' 52' ' ' ILE . 34.3 t -115.02 -10.17 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.773 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -94.67 154.58 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.69 HD12 HD11 ' A' ' 59' ' ' LEU . 8.1 mt -65.76 -24.81 67.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -56.41 -17.63 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.485 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -124.22 30.44 6.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 90' ' ' SER . 3.4 mm? -102.18 -175.74 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 p 73.05 34.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -116.87 -159.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.96 55.68 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.463 HG23 ' CA ' ' A' ' 82' ' ' CYS . 1.4 p -57.95 118.77 28.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.611 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -74.93 139.2 24.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.575 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.05 -164.39 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.85 -30.25 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.714 ' CE2' HD23 ' A' ' 77' ' ' LEU . 30.2 m-85 -38.6 161.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -70.42 174.0 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.57 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.1 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 14' ' ' SER . 24.9 m -54.99 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -34.58 72.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -44.5 -42.58 7.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.416 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -165.15 61.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 41.96 28.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.82 48.82 39.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.597 ' CG ' HG12 ' A' ' 18' ' ' VAL . 18.3 t-20 -85.14 115.59 61.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.19 9.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.597 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.2 p -58.86 -39.78 78.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.627 ' CE2' HD13 ' A' ' 77' ' ' LEU . 14.2 m-85 -66.18 -33.38 75.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -33.76 58.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -37.84 86.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' OH ' ' CB ' ' A' ' 105' ' ' ASP . 22.2 m-85 -78.61 -47.5 17.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 1.2 t80 -54.24 -24.3 18.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.57 -22.29 18.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.73 -37.06 82.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -81.52 -26.03 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.0 143.29 8.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -120.44 145.51 47.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.01 -174.8 55.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.44 41.91 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.0 p -104.77 -26.08 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.89 31.79 19.76 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 mtt85 -125.67 137.66 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.829 ' O ' HG13 ' A' ' 67' ' ' VAL . 69.5 t -81.9 103.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.718 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.1 mt -53.39 -17.74 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 86.49 -54.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mp -42.6 -54.34 4.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.647 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 1.5 m-20 -58.27 -42.97 87.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.592 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -47.47 -52.19 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.13 49.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -71.0 -55.35 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.513 ' HB2' HG12 ' A' ' 26' ' ' VAL . 51.2 t80 -58.72 -34.44 71.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.66 -45.45 71.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -53.09 -19.49 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -75.65 -1.04 22.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 45.0 p -67.95 -56.58 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.98 -33.43 2.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 6.2 mp -63.79 165.23 13.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.9 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.0 -25.66 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -60.33 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.475 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.5 mm -54.97 -35.97 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.61 HD23 HD12 ' A' ' 56' ' ' ILE . 7.9 mt -63.77 -47.93 79.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.93 -43.11 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -42.4 98.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.984 HG12 HD22 ' A' ' 79' ' ' LEU . 15.2 mt -57.39 -58.0 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.643 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 33.5 t-105 -56.3 -53.58 55.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -43.45 -50.05 7.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.049 HD12 HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -74.86 -27.46 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -63.04 -58.86 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ALA . 36.4 t70 -38.63 126.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -152.14 -45.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.45 -51.94 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.85 66.74 0.84 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.44 -60.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' VAL . . . 157.93 -64.26 0.3 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 34' ' ' VAL . 42.5 t -40.29 146.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.592 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 23.3 mt -100.75 169.22 9.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 m -125.91 -174.73 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.845 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.8 mtmm -55.11 -88.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -42.78 -50.99 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.43 -72.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.4 t80 -56.91 -43.44 81.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.7 m-85 -59.96 -17.04 35.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -88.89 -54.46 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.679 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -46.95 -28.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.627 HD13 ' CE2' ' A' ' 19' ' ' TYR . 2.5 mt -60.91 -77.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.725 HH21 ' CG ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -49.94 -38.15 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.049 HD11 HD12 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -46.36 -48.48 18.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 76' ' ' ALA . 86.8 t -61.59 -40.88 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.65 -19.41 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -69.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.92 -22.59 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.454 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.0 mm-40 -54.64 -29.28 51.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -100.89 -17.43 16.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.56 10.34 10.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.1 mt -77.4 153.96 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -44.09 167.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.522 ' O ' HD21 ' A' ' 79' ' ' LEU . 4.1 t -110.28 -5.9 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.643 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.2 m -95.0 155.81 16.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.668 HD12 HD21 ' A' ' 59' ' ' LEU . 5.1 mt -62.57 -21.71 65.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.6 m -57.74 -16.54 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.449 ' CB ' ' HB3' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -122.33 28.27 7.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.92 -175.33 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 3.7 p 77.95 21.7 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.7 -164.31 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.5 63.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' A' ' 78' ' ' ARG . 3.1 m -47.6 147.36 3.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.612 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 176.28 10.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.4 Cg_endo -74.99 128.44 11.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.725 ' CG ' HH21 ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.11 -30.38 12.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.6 m-85 -42.03 167.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.46 172.81 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.427 ' CB ' ' OH ' ' A' ' 22' ' ' TYR . 1.1 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.843 HD11 ' HB3' ' A' ' 70' ' ' LYS . 4.1 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.488 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -56.43 -40.6 75.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -77.0 -37.82 54.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -45.15 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.45 58.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 55.57 21.28 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.488 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 70.06 51.34 23.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.757 ' CG ' HG12 ' A' ' 18' ' ' VAL . 37.7 t-20 -75.82 126.63 86.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.25 9.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.757 HG12 ' CG ' ' A' ' 16' ' ' ASN . 9.1 p -59.96 -46.05 94.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.0 m-30 -66.63 -33.63 76.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -35.43 68.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.568 ' HG2' ' CD2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -58.17 -44.0 87.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 97.9 m-85 -74.88 -50.45 16.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -50.39 -23.56 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -25.37 19.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.2 mt-30 -61.68 -39.9 93.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -76.52 -41.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.19 140.91 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.71 143.9 49.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.53 -171.08 47.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -122.22 49.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -107.55 -28.92 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.97 27.81 17.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -129.12 143.34 50.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 0.8 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.964 ' O ' HG13 ' A' ' 67' ' ' VAL . 59.9 t -86.38 115.85 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.609 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.1 mt -64.9 -10.55 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.82 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 77.96 -55.22 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -41.6 -42.72 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -74.54 -40.68 61.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.71 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.21 -43.97 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.481 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -69.43 -28.25 65.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -68.47 -46.61 69.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.553 ' HB2' HG12 ' A' ' 26' ' ' VAL . 77.8 t80 -64.77 -34.9 79.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 40' ' ' ALA . 72.1 mt -59.09 -48.17 82.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' A' ' 46' ' ' SER . 3.2 mmmt -51.02 -21.27 1.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -80.45 15.17 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' LEU . 49.0 p -93.53 -67.14 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 149.84 -34.61 1.03 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.797 HD12 HG13 ' A' ' 80' ' ' VAL . 5.0 mt -58.75 162.54 6.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.447 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -85.66 -36.48 20.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.517 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.26 -51.14 71.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.532 HG21 HD22 ' A' ' 48' ' ' LEU . 2.7 mm -63.0 -35.81 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ILE . 2.9 mt -64.98 -52.46 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.1 -48.31 2.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -58.25 -47.33 83.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.762 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.499 HG23 HD13 ' A' ' 79' ' ' LEU . 60.3 mt -53.74 -54.88 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.82 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 23.4 t-105 -55.31 -57.88 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -46.57 -38.77 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.703 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.5 tm? -76.66 -32.12 57.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -67.24 -55.76 12.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -37.62 130.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -172.81 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.366 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.61 -66.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.28 128.33 1.83 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.4 151.25 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.501 ' C ' HG23 ' A' ' 67' ' ' VAL . . . 88.9 -7.46 82.05 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.964 HG13 ' O ' ' A' ' 34' ' ' VAL . 65.6 t -156.52 143.85 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.71 HD12 ' CB ' ' A' ' 39' ' ' ALA . 26.0 mt -99.62 177.5 5.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.3 m -134.08 -167.95 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.843 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -62.77 -95.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.583 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.38 -47.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 60' ' ' ALA . 1.1 mt-10 -40.43 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.7 t80 -58.43 -42.77 88.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.632 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.2 m-85 -63.98 -11.28 27.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.1 t -95.18 -58.41 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.882 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -49.8 -24.59 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD23 ' CE2' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -61.9 -71.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.492 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.1 mmp_? -59.49 -34.94 73.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.703 ' CD1' HD12 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -52.63 -38.51 60.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 76' ' ' ALA . 54.8 t -61.3 -38.4 79.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -10.86 48.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.6 t -74.71 -66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.29 -19.2 44.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.458 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.4 mm-40 -62.4 -27.79 69.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 37.8 t30 -99.87 -12.42 19.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.79 8.46 42.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.598 HD13 HG12 ' A' ' 98' ' ' VAL . 9.1 mt -77.92 172.67 13.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.747 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.508 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -49.36 170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.503 ' O ' HD21 ' A' ' 79' ' ' LEU . 3.4 t -112.02 -15.38 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.669 ' O ' HD23 ' A' ' 94' ' ' LEU . 5.8 m -94.7 150.85 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.731 ' HA ' HD23 ' A' ' 94' ' ' LEU . 5.4 mt -57.59 -23.15 49.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m -52.12 -20.71 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.508 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -124.4 35.66 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.4 mm? -111.3 -178.94 3.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p 74.56 34.21 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.16 -162.46 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.77 74.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.598 HG12 HD13 ' A' ' 87' ' ' LEU . 19.9 m -84.39 156.82 62.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.468 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.4 Cg_endo -75.0 174.26 13.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.98 144.73 30.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.53 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.98 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.64 -31.05 11.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.3 m-85 -39.41 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -74.6 172.11 12.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.591 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 70' ' ' LYS . 5.4 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' SER . 71.1 p -47.36 -55.66 8.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -32.29 59.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -48.88 -42.9 38.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.4 57.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 57.27 16.88 3.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.67 36.2 53.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.678 ' CG ' HG12 ' A' ' 18' ' ' VAL . 7.7 t-20 -58.12 110.43 2.55 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.98 -19.04 18.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.678 HG12 ' CG ' ' A' ' 16' ' ' ASN . 5.6 p -44.07 -41.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.677 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -67.21 -39.07 86.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -50.47 -37.74 40.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.517 ' HG3' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -51.55 -40.08 59.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 19' ' ' TYR . 12.4 m-85 -74.56 -43.53 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -54.59 -34.27 61.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.63 -26.33 41.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -37.9 89.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.695 ' CG2' HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -78.14 -30.47 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -47.23 129.61 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.46 167.43 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 173.91 23.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -95.93 32.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.763 HG23 ' H ' ' A' ' 33' ' ' ARG . 1.8 t -95.18 -32.89 12.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.24 7.15 80.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.763 ' H ' HG23 ' A' ' 31' ' ' THR . 5.9 mtt-85 -113.7 171.87 7.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.938 ' O ' HG13 ' A' ' 67' ' ' VAL . 5.7 t -89.43 110.14 21.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.697 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.6 mt -62.15 -11.64 15.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 83.8 -55.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -44.87 -42.11 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -72.31 -36.16 68.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.675 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -52.44 -53.52 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -62.36 -25.61 68.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -71.29 -45.93 61.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.632 ' HB2' HG12 ' A' ' 26' ' ' VAL . 20.2 t80 -71.08 -28.21 64.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' SER . 71.0 mt -70.17 -46.0 65.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.55 -21.24 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -73.82 -2.67 24.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.735 ' HB2' HG11 ' A' ' 80' ' ' VAL . 97.1 p -68.76 -75.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.05 -24.13 0.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.717 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 9.1 mt -62.6 164.63 11.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.753 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -166.48 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.06 -35.81 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.502 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.05 -52.86 63.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.603 HG21 ' HB1' ' A' ' 83' ' ' ALA . 1.6 mt -66.12 -33.29 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 56' ' ' ILE . 5.3 mt -65.24 -46.64 79.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.93 -41.66 28.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HB2' HG11 ' A' ' 89' ' ' VAL . 11.0 mttm -61.6 -42.59 99.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.552 HG23 HD13 ' A' ' 79' ' ' LEU . 53.4 mt -57.03 -58.49 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.66 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 31.5 t-105 -55.18 -50.69 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -42.4 -49.34 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.976 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -78.76 -26.98 44.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -61.67 -58.18 9.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ALA . 10.1 t0 -38.42 127.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -161.63 -42.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -53.99 18.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.58 64.68 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt 173.05 -41.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 139.31 -54.6 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.938 HG13 ' O ' ' A' ' 34' ' ' VAL . 39.7 t -43.73 146.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.675 HD12 ' CB ' ' A' ' 39' ' ' ALA . 27.2 mt -99.94 168.71 9.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -121.29 -160.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.961 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HB3' HD11 ' A' ' 9' ' ' LEU . 12.4 mttp -73.74 -81.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -48.06 -52.86 18.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -40.05 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.668 ' CE1' HD12 ' A' ' 77' ' ' LEU . 2.2 t80 -54.11 -35.82 62.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.677 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 1.3 m-85 -73.48 -11.66 60.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.652 HG11 HD11 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -90.72 -59.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.487 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -51.05 -41.35 59.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.668 HD12 ' CE1' ' A' ' 73' ' ' PHE . 3.0 mt -52.86 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.474 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.6 OUTLIER -51.63 -35.5 42.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.552 HD13 HG23 ' A' ' 56' ' ' ILE . 1.2 tt -51.26 -44.4 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.735 HG11 ' HB2' ' A' ' 46' ' ' SER . 53.1 t -50.41 -49.63 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.645 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -54.94 -21.18 10.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.7 t -71.73 -73.37 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 108.261 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.717 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -52.41 -22.23 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -61.12 -23.93 65.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -112.69 19.39 17.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.34 15.11 77.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.863 HD13 HG12 ' A' ' 98' ' ' VAL . 25.5 mt -77.97 168.54 19.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.506 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -50.26 168.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 55' ' ' LYS . 3.4 t -112.9 -13.69 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.687 ' O ' HD23 ' A' ' 94' ' ' LEU . 49.1 m -94.73 149.83 20.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.657 ' HA ' HD23 ' A' ' 94' ' ' LEU . 6.2 mt -59.37 -24.6 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.8 t -51.98 -23.1 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.622 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -118.72 32.17 6.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.048 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.27 -179.1 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.4 p 73.37 31.33 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.622 HD11 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -112.33 -164.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.76 57.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.863 HG12 HD13 ' A' ' 87' ' ' LEU . 20.2 m -68.07 157.48 86.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.645 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 174.05 13.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.01 145.52 31.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.502 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.02 -163.01 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.72 -30.96 11.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.2 m-85 -39.42 161.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.8 140.56 58.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 70' ' ' LYS . 7.0 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' GLY . 4.8 m -47.77 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.09 -31.49 67.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.506 ' HA ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -59.93 -15.0 18.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.576 ' OG ' ' CE1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -148.52 24.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 51.98 20.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 96.08 51.94 1.69 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.496 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 6.0 t-20 -129.2 102.36 18.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.99 -13.02 21.56 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -42.76 -29.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.627 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.6 m-85 -66.72 -45.93 77.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -49.94 -32.4 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -59.03 -45.79 89.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.42 -46.99 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.2 t80 -54.05 -23.61 14.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.14 -22.36 19.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.27 -36.44 82.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.708 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -75.8 -33.7 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -38.45 148.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -123.73 129.01 50.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.48 -171.29 54.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -105.61 38.55 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.822 HG23 ' H ' ' A' ' 33' ' ' ARG . 5.3 t -91.11 -22.25 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.31 -0.95 83.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.822 ' H ' HG23 ' A' ' 31' ' ' THR . 6.4 mtt180 -108.37 142.94 37.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.918 ' O ' HG13 ' A' ' 67' ' ' VAL . 95.3 t -82.79 115.57 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.708 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -61.26 -12.53 13.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 84.96 -56.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -41.74 -44.2 3.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -69.04 -42.86 75.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.541 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -49.69 -43.91 47.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.57 68.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.72 -49.35 47.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.467 ' HB2' HG12 ' A' ' 26' ' ' VAL . 70.8 t80 -63.84 -39.54 94.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' SER . 64.5 mt -55.95 -47.95 76.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.459 ' C ' ' H ' ' A' ' 46' ' ' SER . 8.6 mmtt -46.76 -24.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 43' ' ' LEU . 14.4 mttm -81.17 25.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 44' ' ' LYS . 56.5 p -96.25 -71.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 148.96 -23.55 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.028 HD12 HG13 ' A' ' 80' ' ' VAL . 13.6 mt -72.74 160.8 81.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.78 12.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.784 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -75.36 -33.49 61.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.61 -62.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.473 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.7 mm -55.6 -36.86 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.0 mt -61.37 -52.97 62.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.02 -44.47 2.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' HB2' HG11 ' A' ' 89' ' ' VAL . 8.1 mttt -60.61 -47.13 87.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.862 HG12 HD22 ' A' ' 79' ' ' LEU . 14.9 mt -52.92 -56.16 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' ALA . 21.6 t-105 -55.49 -56.49 19.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 107.966 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.51 -46.14 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.94 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.7 tm? -72.77 -31.57 64.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -68.87 -67.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' ALA . 19.9 t70 -38.23 126.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.4 m -160.15 -44.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -48.87 -49.37 39.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.77 -56.03 0.71 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 142.25 33.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -40.16 -46.53 3.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.918 HG13 ' O ' ' A' ' 34' ' ' VAL . 36.2 t -40.15 146.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.541 HD12 ' CB ' ' A' ' 39' ' ' ALA . 29.7 mt -100.38 -179.2 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.86 162.05 35.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.644 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -41.39 -86.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.505 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -42.36 -53.33 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -40.02 -72.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.5 t80 -51.54 -43.29 62.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.627 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -57.53 -33.33 67.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 t -71.65 -53.08 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.06 20.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.29 -72.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.65 HH21 ' CG ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -53.8 -41.91 67.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.862 HD22 HG12 ' A' ' 56' ' ' ILE . 1.1 tt -42.54 -43.47 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.028 HG13 HD12 ' A' ' 48' ' ' LEU . 41.7 t -59.85 -50.74 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.63 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.45 -21.56 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -67.28 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.96 50.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.55 ' HG2' HD11 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -69.1 -7.34 35.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 5.6 t30 -112.93 -31.04 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.47 2.2 7.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.19 145.52 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.92 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.473 ' O ' HD21 ' A' ' 79' ' ' LEU . 12.0 t -94.78 -2.7 10.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.514 ' O ' HD23 ' A' ' 94' ' ' LEU . 3.2 m -94.53 160.26 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.94 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.5 mt -55.4 -21.97 17.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.63 -22.09 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.453 ' C ' HD22 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -116.02 29.52 7.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.61 ' CB ' HD23 ' A' ' 91' ' ' LEU . 4.6 mm? -117.15 177.51 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER 78.58 10.97 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.937 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -166.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.73 57.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.475 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 8.6 m -40.4 151.1 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.63 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.97 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.3 Cg_endo -74.96 129.13 12.08 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.416 1.746 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.65 ' CG ' HH21 ' A' ' 78' ' ' ARG . 18.5 Cg_endo -74.98 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.04 -30.1 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 34.5 m-85 -38.61 161.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 105' ' ' ASP . 79.3 t60 -69.96 170.9 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.657 ' CD2' ' CD1' ' A' ' 74' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.1 m -46.71 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -30.09 63.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.945 HD21 HG23 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -58.43 -15.74 12.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.504 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -148.06 25.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.81 18.14 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 92.86 49.37 2.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.614 ' CG ' HG12 ' A' ' 18' ' ' VAL . 7.6 t-20 -110.67 100.66 46.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.1 Cg_endo -75.04 -16.98 19.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.614 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.2 p -42.67 -37.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.827 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -65.43 -44.16 88.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -45.5 -34.9 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -44.29 95.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 22.6 m-85 -75.27 -41.85 56.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 13.3 t80 -54.01 -34.1 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -80.26 -27.72 38.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.06 77.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.522 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -84.19 -41.29 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -38.83 115.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.9 113.35 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.59 -166.15 1.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -92.64 34.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -62.27 -43.22 99.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.63 0.8 30.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.81 141.66 46.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.734 ' O ' HG13 ' A' ' 67' ' ' VAL . 11.2 t -83.65 105.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -57.69 -15.65 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.759 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 85.98 -51.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' ALA . 4.1 mm? -38.5 -47.07 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -71.7 -44.7 63.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -46.28 -48.47 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -62.08 -32.42 72.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -65.84 -54.13 30.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.522 ' HB2' HG12 ' A' ' 26' ' ' VAL . 4.8 t80 -59.1 -46.07 89.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 40' ' ' ALA . 33.8 mt -48.23 -48.64 34.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -48.3 -22.9 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -81.12 26.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.686 ' HB2' HG11 ' A' ' 80' ' ' VAL . 60.0 p -97.07 -73.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 158.97 -34.81 0.49 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.952 HD12 HG13 ' A' ' 80' ' ' VAL . 7.8 mt -57.96 163.49 4.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.449 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.96 -168.87 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.39 -37.62 11.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.553 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.9 -53.09 61.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.553 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.8 mm -63.68 -34.59 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 49' ' ' PRO . 4.5 mt -64.87 -50.04 68.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.5 -42.94 4.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.65 ' HB2' HG11 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -65.78 -41.06 92.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.771 HG13 HG13 ' A' ' 89' ' ' VAL . 2.8 mt -57.37 -56.25 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.759 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 43.6 t-105 -55.74 -54.72 40.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -43.81 -47.56 8.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.527 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.3 tm? -64.97 -35.82 82.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.77 -61.29 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' ALA . 43.0 t0 -36.61 126.05 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -161.16 -43.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -48.72 -56.95 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.75 65.28 0.67 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 pttt 179.77 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 132.42 -56.87 0.73 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 34' ' ' VAL . 18.3 t -39.36 152.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.452 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 23.7 mt -99.31 164.91 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -108.11 -148.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.495 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.0 mttt -88.04 -97.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 75' ' ' VAL . 51.0 mt-30 -45.27 -29.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.05 -71.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 2.6 t80 -48.93 -45.66 41.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CD1' ' CD2' ' A' ' 9' ' ' LEU . 2.0 m-85 -63.6 -24.19 67.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.945 HG23 HD21 ' A' ' 12' ' ' LEU . 1.2 t -74.87 -57.49 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.578 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -49.41 -46.79 47.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.827 HD13 ' CZ ' ' A' ' 19' ' ' TYR . 2.8 mt -49.37 -70.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.489 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -51.98 -34.96 44.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.621 HD22 HG12 ' A' ' 56' ' ' ILE . 2.2 tt -52.83 -41.23 64.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.952 HG13 HD12 ' A' ' 48' ' ' LEU . 77.5 t -53.43 -48.8 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -54.89 -20.13 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.4 t -73.56 -74.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -52.81 -21.83 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -59.45 -27.26 65.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.2 t30 -108.28 16.59 23.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.55 17.0 79.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.57 ' CD1' HG12 ' A' ' 98' ' ' VAL . 96.6 mt -78.47 174.15 11.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 0.796 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.544 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -57.45 166.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.771 HG13 HG13 ' A' ' 56' ' ' ILE . 21.7 t -108.48 -15.18 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.679 ' O ' HD23 ' A' ' 94' ' ' LEU . 66.2 m -94.83 150.05 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.673 ' HA ' HD23 ' A' ' 94' ' ' LEU . 6.0 mt -60.0 -24.92 64.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 m -51.55 -21.49 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.544 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -120.24 33.41 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 90' ' ' SER . 4.5 mm? -113.67 -179.97 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.3 p 78.18 25.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.431 HD11 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -109.04 -162.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.79 65.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.57 HG12 ' CD1' ' A' ' 87' ' ' LEU . 10.0 m -74.51 156.89 86.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.701 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 174.17 13.24 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.02 145.74 31.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.576 1.829 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.99 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.782 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -101.7 -30.96 11.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 27.2 m-85 -38.92 161.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -66.09 167.21 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.961 HD22 ' CG ' ' A' ' 74' ' ' PHE . 21.4 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLY . 6.0 m -47.12 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -32.14 66.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -59.98 -14.88 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.51 30.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 45.5 25.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.016 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 91.53 57.18 1.57 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.52 ' CG ' HG12 ' A' ' 18' ' ' VAL . 8.2 t-20 -130.91 95.18 26.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -74.98 -8.38 20.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.52 HG12 ' CG ' ' A' ' 16' ' ' ASN . 7.7 p -41.42 -35.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.663 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -65.99 -45.86 80.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 111.024 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -43.54 -38.3 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.66 -42.69 68.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 14.0 m-85 -73.35 -41.79 63.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.652 ' CE2' ' CG2' ' A' ' 34' ' ' VAL . 1.1 t80 -53.96 -38.99 65.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -33.28 71.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -61.74 -40.54 95.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 HG13 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -83.64 -19.72 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.7 tt0 -62.4 141.03 58.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.983 ' CB ' HD12 ' A' ' 35' ' ' LEU . . . -119.97 164.92 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.9 -169.13 46.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.67 27.26 7.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 33' ' ' ARG . 4.3 t -98.83 -25.9 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.82 12.41 40.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HB2' ' CG2' ' A' ' 31' ' ' THR . 8.1 mtp180 -99.68 147.47 25.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 0.762 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.932 ' O ' HG13 ' A' ' 67' ' ' VAL . 3.1 t -88.15 116.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.983 HD12 ' CB ' ' A' ' 28' ' ' ALA . 1.7 mt -61.12 -11.95 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 75.79 -56.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.82 -51.24 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.586 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -60.73 -35.33 76.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -57.17 -50.4 72.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.537 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -57.94 -23.57 54.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -76.05 -53.84 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 6.1 t80 -59.93 -36.73 77.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 40' ' ' ALA . 57.6 mt -55.47 -47.07 76.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -51.19 -20.83 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.2 mttm -80.22 13.7 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LEU . 57.8 p -89.27 -71.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 152.36 -26.17 0.87 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.998 HD12 HG13 ' A' ' 80' ' ' VAL . 10.4 mt -68.17 162.51 59.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.414 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.01 -171.67 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.52 -37.84 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.542 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -58.97 -51.8 68.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.542 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 2.3 mm -63.75 -35.46 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.3 mt -63.19 -54.14 42.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.12 -42.37 2.33 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.454 1.097 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.715 ' HB2' HG11 ' A' ' 89' ' ' VAL . 1.9 mmtt -60.12 -46.3 90.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.484 HG13 ' CG1' ' A' ' 89' ' ' VAL . 24.0 mt -53.54 -57.29 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.574 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 11.8 t-105 -55.11 -55.47 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.08 -30.51 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.818 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.4 tm? -87.94 -28.89 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -76.08 -62.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' ALA . 2.0 t70 -38.32 126.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -163.1 -42.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -49.47 -53.28 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.37 65.13 0.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 178.36 173.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . -91.53 29.36 7.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 34' ' ' VAL . 57.4 t -133.33 144.06 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.418 HD21 ' CZ2' ' A' ' 57' ' ' TRP . 21.9 mt -99.46 171.78 7.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -115.86 -152.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.704 ' C ' HD21 ' A' ' 9' ' ' LEU . 12.3 mttt -87.23 -80.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' N ' HD21 ' A' ' 9' ' ' LEU . 28.6 mt-30 -51.26 -27.7 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -75.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 8.2 t80 -50.56 -26.1 4.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.961 ' CG ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -76.45 -28.58 56.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.68 -54.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.34 -52.73 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.566 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 3.3 mt -46.68 -67.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.466 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.8 OUTLIER -52.68 -29.53 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.818 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.1 tt -58.1 -42.41 85.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.998 HG13 HD12 ' A' ' 48' ' ' LEU . 71.6 t -53.75 -41.07 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.9 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -58.13 -23.56 55.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.49 -63.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.574 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -51.93 -21.92 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -69.04 -17.14 63.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.6 t30 -100.85 -15.09 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.56 6.16 53.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.72 166.86 22.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.62 165.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 55' ' ' LYS . 33.4 t -99.89 -5.54 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.472 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.6 m -94.59 152.39 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.633 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.9 mt -59.88 -22.33 62.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -17.44 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.627 ' O ' HD11 ' A' ' 96' ' ' LEU . 82.8 p -106.76 -15.03 14.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.581 ' HB2' HD23 ' A' ' 91' ' ' LEU . 2.2 mm? -73.63 -178.91 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.9 t 86.42 20.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.627 HD11 ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -118.15 -164.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.39 58.24 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 m -53.82 143.13 41.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.9 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.0 174.51 12.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -74.95 145.31 31.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.574 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.03 -164.69 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.67 -30.22 12.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 30.3 m-85 -38.73 161.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -66.21 173.81 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.581 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 104' ' ' HIS . 1.3 t0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.806 HD22 ' CG ' ' A' ' 74' ' ' PHE . 4.9 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.1 m -47.48 -61.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.5 -31.4 63.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.72 -44.21 48.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.51 57.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 58.1 16.39 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 71.43 41.07 59.12 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.521 ' CG ' HG12 ' A' ' 18' ' ' VAL . 4.2 t-20 -62.87 124.58 84.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.784 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.97 -23.01 14.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.521 HG12 ' CG ' ' A' ' 16' ' ' ASN . 2.6 p -40.35 -49.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 29.0 m-85 -66.27 -36.67 83.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -52.73 -39.36 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -62.81 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -58.11 -47.58 82.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.661 ' CZ ' HG23 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -54.14 -26.63 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -31.87 59.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -33.36 74.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.721 HG23 HG13 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -88.14 -13.29 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -77.93 121.76 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.401 ' HB2' HD12 ' A' ' 35' ' ' LEU . . . -58.21 99.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.31 -165.34 31.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -92.56 34.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.7 p -64.67 -48.78 73.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.76 -10.31 14.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -119.09 132.93 56.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.839 ' O ' HG13 ' A' ' 67' ' ' VAL . 51.7 t -82.21 114.21 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.707 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -56.95 -16.13 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.742 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 84.54 -52.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.55 -53.7 5.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.713 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -59.64 -34.69 73.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -49.51 -57.0 7.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.688 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -56.89 -25.83 57.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -68.43 -56.42 8.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.507 ' O ' ' CG ' ' A' ' 45' ' ' LYS . 2.1 t80 -63.15 -40.68 98.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 40' ' ' ALA . 41.8 mt -48.11 -46.14 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -25.04 2.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 4.0 mmmt -62.52 -14.09 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.427 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 97.3 p -69.74 -76.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.67 -17.73 1.45 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.994 HD12 HG13 ' A' ' 80' ' ' VAL . 12.1 mt -68.9 162.98 60.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.97 23.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.9 -33.55 45.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.55 -65.45 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -52.86 -37.24 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 6.3 mt -62.36 -50.78 70.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.51 -44.32 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -47.11 87.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.667 ' CG1' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -56.47 -53.89 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.658 ' HZ3' ' HB2' ' A' ' 40' ' ' ALA . 1.7 t90 -55.3 -55.6 29.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -39.51 29.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.997 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -76.42 -27.41 56.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -79.22 -69.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' TRP . 2.7 t70 -39.83 146.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -164.86 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.367 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.55 -50.97 71.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.59 -174.84 15.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tttt 71.56 -61.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 157.35 -54.53 0.39 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.839 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.2 t -39.21 149.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 87.6 mt -100.18 174.31 6.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -168.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' C ' HD21 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -71.77 -82.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 1.0 OUTLIER -53.84 -34.2 58.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 3.3 mt-10 -46.87 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 2.0 t80 -52.69 -46.1 67.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.806 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.5 m-85 -57.92 -27.9 63.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.0 t -77.6 -59.76 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.77 -27.41 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.541 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 1.2 mt -65.88 -75.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -51.11 -28.64 11.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.76 HD11 HD12 ' A' ' 59' ' ' LEU . 1.1 tt -55.37 -46.72 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.994 HG13 HD12 ' A' ' 48' ' ' LEU . 8.6 t -52.49 -40.91 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -58.98 -16.96 20.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -80.16 -65.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.06 -23.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.68 -26.31 68.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 17.6 t-20 -100.84 10.64 40.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.14 14.15 80.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.9 mt -77.75 159.67 28.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' OG ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -42.04 164.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 56' ' ' ILE . 16.8 t -105.52 2.1 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -94.12 164.29 13.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.856 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.8 mt -59.69 -22.46 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 t -68.07 -6.08 20.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.475 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -97.55 -11.3 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 94' ' ' LEU . 10.3 mt -92.12 178.44 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.3 p 79.3 10.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -112.84 -168.17 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.6 61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 m -67.22 154.67 92.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.73 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.04 174.54 12.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -75.02 147.69 34.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.491 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.01 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -99.46 -30.82 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.541 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.6 m-85 -39.03 161.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.81 166.14 11.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.5 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.8 m -56.36 -64.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -30.22 65.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.708 HD11 ' O ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -51.89 -21.41 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -149.27 44.37 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.49 28.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 88.71 58.16 1.75 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.132 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 13' ' ' SER . 8.3 t-20 -134.23 104.6 11.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -1.05 10.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.558 1.82 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.2 p -48.87 -27.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.638 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.1 m-85 -66.97 -38.83 86.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -40.14 69.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -53.57 -44.76 69.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -74.78 -43.61 53.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.8 ' CE1' HG21 ' A' ' 34' ' ' VAL . 28.6 t80 -54.33 -26.51 30.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -90.37 -22.81 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.78 98.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.643 HG23 HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -75.6 -45.18 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.622 ' HB2' HG22 ' A' ' 34' ' ' VAL . 18.8 tt0 -43.21 114.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' O ' ' OG1' ' A' ' 31' ' ' THR . . . -54.45 154.51 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 31' ' ' THR . . . -72.13 143.74 35.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER 53.22 72.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 28' ' ' ALA . 17.9 p -154.27 -41.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.353 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.64 -10.34 38.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.47 158.12 45.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.859 ' O ' HG13 ' A' ' 67' ' ' VAL . 46.3 t -83.3 106.67 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -54.21 -17.77 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.83 -48.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.11 -43.7 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -73.43 -37.52 65.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.623 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -55.21 -45.95 75.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -64.25 -29.59 70.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.33 -54.95 10.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.586 ' HB2' HG12 ' A' ' 26' ' ' VAL . 34.3 t80 -56.71 -33.85 66.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.68 -47.29 66.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -51.98 -21.36 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -69.12 -8.12 42.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 89.9 p -65.79 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.17 -24.93 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.44 1.087 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.854 HD11 ' HG2' ' A' ' 84' ' ' GLN . 3.3 mt -65.76 160.59 60.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.44 22.62 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -74.03 -23.12 59.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -60.34 -66.0 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.536 HG21 ' HB1' ' A' ' 83' ' ' ALA . 1.9 mt -55.8 -35.57 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.67 -44.41 90.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.95 -44.5 8.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HB2' HG11 ' A' ' 89' ' ' VAL . 4.7 mmtt -63.49 -42.75 98.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.671 HG12 HD22 ' A' ' 79' ' ' LEU . 11.8 mt -56.58 -56.04 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 18.9 t-105 -55.61 -56.16 23.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 107.994 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -45.15 -44.44 10.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.583 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.1 tm? -74.18 -31.19 62.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -70.36 -67.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' ALA . 15.7 t70 -37.92 128.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m -164.59 -42.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 110.376 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -50.6 -45.61 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.34 -60.55 0.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -79.9 153.79 28.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -51.1 -40.7 44.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.859 HG13 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -44.2 145.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.623 HD12 ' CB ' ' A' ' 39' ' ' ALA . 29.3 mt -99.74 171.08 8.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' CE1' ' A' ' 23' ' ' TYR . 1.7 m -121.08 -148.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.767 ' HB3' HD11 ' A' ' 9' ' ' LEU . 17.1 mttt -83.68 -93.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.13 -50.55 1.39 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.26 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 3.7 t80 -56.84 -47.44 80.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.708 ' O ' HD11 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -56.93 -19.8 19.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.604 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -85.28 -64.45 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.82 -30.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -60.05 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -52.2 -28.32 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.671 HD22 HG12 ' A' ' 56' ' ' ILE . 2.0 tt -57.38 -41.42 80.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 76' ' ' ALA . 48.5 t -57.09 -38.54 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -65.51 -11.65 45.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.96 -69.67 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.536 ' HB1' HG21 ' A' ' 52' ' ' ILE . . . -52.76 -22.37 5.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.854 ' HG2' HD11 ' A' ' 48' ' ' LEU . 2.5 mm-40 -58.17 -28.64 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.459 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.9 t-20 -100.13 -13.84 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.94 14.19 29.69 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.9 mt -78.15 -179.97 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.489 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -59.78 169.59 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 55' ' ' LYS . 20.7 t -111.78 -10.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.744 ' O ' HD23 ' A' ' 94' ' ' LEU . 16.6 m -94.52 151.5 19.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.625 ' HA ' HD23 ' A' ' 94' ' ' LEU . 7.1 mt -60.73 -26.78 67.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.6 m -53.0 -20.79 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.489 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.46 32.98 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -111.11 -175.75 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.9 p 71.19 37.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -118.21 -162.1 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.47 63.16 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.7 m -73.1 154.48 90.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.58 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 174.4 12.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.96 144.93 31.0 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.551 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.06 -164.63 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.68 -30.53 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.9 m-85 -39.03 161.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -66.18 140.12 58.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.628 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.085 HD13 ' CE1' ' A' ' 74' ' ' PHE . 4.4 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.6 m -46.72 -76.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -57.0 -33.95 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -60.93 -13.94 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.1 37.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 38.75 29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 86.31 59.3 1.86 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.531 ' CG ' HG12 ' A' ' 18' ' ' VAL . 8.8 t-20 -130.76 104.15 15.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.05 -7.17 18.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.531 HG12 ' CG ' ' A' ' 16' ' ' ASN . 5.2 p -41.1 -51.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.2 m-30 -62.13 -37.85 86.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -50.81 -40.6 55.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.22 -62.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 9.5 m-85 -58.01 -48.14 80.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.705 ' CE2' HG21 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -54.01 -26.21 25.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -30.94 54.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.774 HG23 HG13 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -84.24 -14.7 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.37 144.48 51.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.962 ' CB ' HD12 ' A' ' 35' ' ' LEU . . . -114.49 148.35 37.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.99 -171.09 12.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -116.13 46.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 p -103.35 -21.47 13.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.05 14.28 60.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -111.54 144.23 41.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.799 ' O ' HG13 ' A' ' 67' ' ' VAL . 25.8 t -91.54 119.03 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.962 HD12 ' CB ' ' A' ' 28' ' ' ALA . 1.1 mt -61.75 -12.54 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.641 ' H ' HG12 ' A' ' 34' ' ' VAL . . . 78.9 -55.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mp -44.32 -52.61 7.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.626 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -59.2 -42.95 92.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -50.8 -51.94 45.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.03 -24.52 39.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -77.45 -52.2 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.55 ' HB2' HG12 ' A' ' 26' ' ' VAL . 18.4 t80 -57.76 -41.94 83.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.1 mt -56.28 -48.75 75.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -49.99 -22.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.4 mttm -81.0 19.08 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 59.7 p -93.14 -68.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.408 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.13 -37.27 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.105 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD22 HG21 ' A' ' 52' ' ' ILE . 4.7 mt -58.76 162.61 6.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.58 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.01 -164.82 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -96.4 -34.68 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.38 -54.01 51.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.701 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 mm -63.24 -34.74 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 49' ' ' PRO . 6.1 mt -62.96 -53.52 52.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.43 -42.7 3.51 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.698 ' HB2' HG11 ' A' ' 89' ' ' VAL . 1.5 mmtp -63.81 -43.03 97.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.901 HG12 HD22 ' A' ' 79' ' ' LEU . 1.9 mt -57.13 -55.53 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.492 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 15.6 t-105 -54.88 -55.12 33.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 107.983 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -45.73 -41.22 10.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.894 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.7 tm? -77.86 -30.28 50.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -71.91 -67.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TRP . 19.6 t70 -38.59 128.75 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 m -158.01 -43.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -61.88 -55.12 33.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.39 -106.96 0.19 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -175.76 166.22 3.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.267 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 76.79 -15.28 6.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 34' ' ' VAL . 5.4 t -151.64 150.77 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.561 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 64.3 mt -104.87 160.14 15.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -94.75 -149.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.539 ' C ' HD21 ' A' ' 9' ' ' LEU . 2.0 mttt -93.07 -97.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -45.89 -27.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -51.0 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -50.48 -43.31 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 1.085 ' CE1' HD13 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -61.43 -33.5 73.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.8 t -68.54 -49.86 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -57.35 -38.38 74.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -51.06 -70.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.495 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -53.16 -35.96 60.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.901 HD22 HG12 ' A' ' 56' ' ' ILE . 3.0 tt -52.02 -39.6 59.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 76' ' ' ALA . 46.7 t -57.51 -41.6 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -62.27 -17.14 57.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.94 -72.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 108.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.03 -22.57 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -58.45 -22.56 55.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -100.74 -18.11 16.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.12 10.06 24.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.88 168.91 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -51.68 162.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.713 HG13 HG13 ' A' ' 56' ' ' ILE . 37.0 t -103.2 0.52 10.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 m -94.32 165.2 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.804 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.4 mt -55.86 -20.18 14.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.2 m -67.33 -7.41 24.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -97.03 -17.23 20.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.476 HD12 HD23 ' A' ' 91' ' ' LEU . 9.4 mt -84.8 -179.57 7.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 p 73.77 8.19 4.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -110.39 -164.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.27 59.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.6 m -61.16 150.71 78.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.751 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.99 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.543 1.812 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.97 143.21 28.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.554 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.96 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 46' ' ' SER . 3.1 tpt180 -99.68 -30.89 11.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.7 m-85 -39.3 161.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -66.3 168.36 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.891 HD11 ' HB2' ' A' ' 70' ' ' LYS . 7.2 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 14' ' ' SER . 45.8 p -59.19 -48.5 81.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -73.79 -33.41 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -46.52 19.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.52 56.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 55.4 18.48 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 78.06 52.15 5.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.599 ' CG ' HG12 ' A' ' 18' ' ' VAL . 49.4 t-20 -85.38 121.87 73.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.63 21.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.599 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.0 p -45.56 -40.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.607 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.9 m-85 -66.05 -38.11 87.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -31.56 32.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG3' ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -61.16 -45.65 93.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.456 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 15.1 m-85 -72.63 -45.53 58.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 13.3 t80 -54.26 -26.69 30.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -25.97 25.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.95 -38.72 89.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.593 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -73.19 -39.32 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 33' ' ' ARG . 1.8 tt0 -39.37 140.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -133.01 168.54 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.57 -166.88 53.9 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -122.72 34.73 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 p -96.92 -29.37 13.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.09 24.34 27.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HD2' HG11 ' A' ' 67' ' ' VAL . 4.9 mtm-85 -129.49 168.53 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.914 ' O ' HG13 ' A' ' 67' ' ' VAL . 64.7 t -97.36 112.99 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -61.23 -12.39 12.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.756 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 84.98 -54.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -44.25 -38.45 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -74.47 -39.66 62.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.834 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -56.12 -42.79 77.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -69.45 -24.83 63.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -76.51 -48.14 20.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.593 ' HB2' HG12 ' A' ' 26' ' ' VAL . 58.0 t80 -62.25 -27.58 69.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.545 HD22 HG21 ' A' ' 80' ' ' VAL . 76.4 mt -73.86 -47.05 41.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -49.5 -23.01 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 43' ' ' LEU . 4.9 mmtt -62.38 -24.31 67.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.573 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 18.2 p -50.74 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 149.02 -19.12 1.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.715 HD12 HG13 ' A' ' 80' ' ' VAL . 28.9 mt -65.36 161.09 53.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.535 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -36.83 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.535 HD23 ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -58.82 -52.61 64.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.51 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.4 mm -62.88 -35.15 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.4 mt -63.37 -56.73 13.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.57 -42.97 1.5 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -48.93 79.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.006 HG23 HD13 ' A' ' 79' ' ' LEU . 8.8 mt -54.1 -54.39 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.756 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 29.1 t-105 -55.08 -53.94 49.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -44.14 -45.85 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.769 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.7 tm? -76.62 -29.11 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -67.89 -65.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 5.9 t70 -37.67 126.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 m -159.72 -43.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.73 -52.46 40.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.69 -64.58 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -77.32 159.36 29.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.567 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -53.33 -44.73 65.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.914 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.9 t -39.82 148.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.834 HD12 ' CB ' ' A' ' 39' ' ' ALA . 13.7 mt -100.67 -174.67 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -147.06 172.17 14.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.891 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -44.02 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.506 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.69 -51.9 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.65 -73.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 29.5 t80 -57.26 -34.41 68.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.773 ' CD2' HD22 ' A' ' 9' ' ' LEU . 2.3 m-85 -72.92 -5.45 38.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.3 t -101.89 -49.07 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.942 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -57.08 -23.99 50.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 19' ' ' TYR . 3.0 mt -59.1 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.911 ' HB3' HG21 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -50.86 -46.23 60.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.006 HD13 HG23 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -41.63 -44.5 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 76' ' ' ALA . 93.4 t -60.92 -47.81 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 101' ' ' PRO . . . -63.68 -16.35 60.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.779 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -71.14 -63.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.307 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.82 -17.46 49.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.591 ' HG2' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -70.82 -7.64 46.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.5 t-20 -117.68 -6.54 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 103.11 5.51 46.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 88' ' ' GLU . 88.2 mt -77.72 148.63 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' A' ' 93' ' ' SER . 6.5 tt0 -41.75 163.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.512 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 9.1 t -101.46 -6.37 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -94.69 169.47 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.769 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.3 mt -54.52 -21.03 8.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -16.49 20.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.497 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 14.0 p -104.56 -15.94 15.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.722 ' HB2' HD23 ' A' ' 91' ' ' LEU . 13.9 mt -85.08 176.83 8.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.4 p 81.78 2.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -109.41 -168.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.57 59.12 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.911 HG21 ' HB3' ' A' ' 78' ' ' ARG . 10.2 m -40.3 147.71 0.36 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.566 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 174.92 11.95 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.49 12.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.596 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.02 -160.47 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -98.12 -29.54 13.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 14.1 m-85 -39.27 162.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.75 179.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.401 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 70' ' ' LYS . 13.8 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' SER . 5.5 m -50.0 -70.02 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.361 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -30.34 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.91 -48.89 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -148.87 45.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 54.08 15.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 86.2 59.44 1.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.639 ' CG ' HG12 ' A' ' 18' ' ' VAL . 24.2 t-20 -108.88 115.87 56.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.69 8.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.639 HG12 ' CG ' ' A' ' 16' ' ' ASN . 7.3 p -51.97 -50.42 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.605 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.4 m-30 -61.23 -34.83 75.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -36.61 61.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -40.92 94.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 95.6 m-85 -75.18 -45.47 40.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 5.9 t80 -54.21 -28.86 43.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -21.78 22.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.0 81.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -77.58 -34.48 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.4 tt0 -45.46 143.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -119.92 150.23 40.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.28 -172.44 54.46 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.56 48.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -107.29 -28.57 9.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.418 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.79 28.25 16.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.7 140.26 49.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.932 ' O ' HG13 ' A' ' 67' ' ' VAL . 69.9 t -82.89 116.19 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.688 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -60.94 -12.38 11.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 84.45 -56.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -44.33 -44.45 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -64.98 -40.58 95.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.762 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -57.09 -43.05 81.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -21.86 66.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -83.02 -49.51 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 57.4 t80 -62.55 -35.44 79.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.19 -48.07 66.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -49.74 -23.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -62.61 -14.97 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.63 ' CB ' HG11 ' A' ' 80' ' ' VAL . 67.7 p -56.92 -67.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.45 -19.54 1.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.631 HD12 HG13 ' A' ' 80' ' ' VAL . 25.3 mt -68.72 160.79 75.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.79 -29.46 58.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.478 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -60.07 -62.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.668 HG23 HG21 ' A' ' 89' ' ' VAL . 5.6 mm -56.28 -35.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.763 HD23 HD12 ' A' ' 56' ' ' ILE . 7.2 mt -64.03 -47.75 79.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.44 -43.08 4.74 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.518 1.137 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -64.92 -41.55 95.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.763 HD12 HD23 ' A' ' 53' ' ' LEU . 25.8 mt -57.04 -53.6 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.702 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 34.1 t-105 -55.4 -56.77 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -44.3 -51.9 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.654 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.3 tm? -68.64 -28.8 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 57' ' ' TRP . . . -65.08 -61.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.4 t70 -39.75 126.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -171.42 -52.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.05 -48.36 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.71 141.34 4.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 tttm 72.51 173.93 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -72.18 -49.09 22.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 34' ' ' VAL . 42.7 t -40.44 145.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.762 HD12 ' CB ' ' A' ' 39' ' ' ALA . 84.7 mt -101.9 174.43 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.7 m -127.99 -162.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.695 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -67.36 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.471 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.15 -49.06 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.58 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 5.6 t80 -57.64 -30.48 65.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.605 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.3 m-85 -75.48 -5.8 46.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -98.39 -52.21 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -55.94 -23.84 34.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.641 HD23 ' CE2' ' A' ' 103' ' ' PHE . 3.1 mt -61.32 -73.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.511 HH21 ' CD ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -53.58 -42.19 67.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.521 HD13 HG23 ' A' ' 56' ' ' ILE . 1.1 tt -46.83 -50.17 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.631 HG13 HD12 ' A' ' 48' ' ' LEU . 32.5 t -58.18 -40.69 78.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.698 ' HB2' ' HB3' ' A' ' 101' ' ' PRO . . . -69.0 -12.63 61.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.628 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -79.36 -61.22 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.274 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.22 -15.55 57.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -66.69 -17.89 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.443 ' CB ' ' HG3' ' A' ' 99' ' ' PRO . 10.7 t30 -112.41 -16.72 12.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.69 9.5 9.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.618 HD13 ' SG ' ' A' ' 82' ' ' CYS . 9.4 mt -77.43 150.44 35.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -44.82 163.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.668 HG21 HG23 ' A' ' 52' ' ' ILE . 21.2 t -103.95 -8.83 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.718 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.6 m -94.44 151.56 19.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.654 ' HG ' HD11 ' A' ' 59' ' ' LEU . 7.7 mt -64.48 -23.51 67.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.35 -19.99 3.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.42 36.56 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 90' ' ' SER . 4.0 mm? -117.04 -170.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER 83.23 -0.07 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.94 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -161.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.51 59.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.628 HG12 ' SG ' ' A' ' 82' ' ' CYS . 4.4 m -39.95 147.12 0.36 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.585 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.98 175.07 11.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 126.12 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.698 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 -161.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -98.97 -30.11 12.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.641 ' CE2' HD23 ' A' ' 77' ' ' LEU . 17.6 m-85 -38.57 161.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -68.93 172.68 6.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.603 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.996 HD22 ' CD2' ' A' ' 74' ' ' PHE . 1.1 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' CA ' ' A' ' 14' ' ' SER . 12.0 m -51.09 -52.34 44.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.64 -34.24 64.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -42.92 43.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.3 m -158.88 59.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.496 ' CA ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 39.0 29.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.31 58.5 3.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 39.5 t-20 -106.89 126.86 29.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 1.26 7.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 19' ' ' TYR . 6.4 p -46.77 -49.17 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.624 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 m-30 -66.3 -32.66 74.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -31.02 64.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -42.23 98.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -78.27 -44.34 25.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.831 ' CE1' HG21 ' A' ' 34' ' ' VAL . 29.2 t80 -53.71 -24.97 16.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -97.45 -18.83 18.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -29.6 70.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.665 HG23 HG13 ' A' ' 34' ' ' VAL . 2.4 m -85.5 -47.2 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 4.1 tm-20 -38.49 145.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.64 121.28 44.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.53 -169.57 28.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.35 49.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.1 p -98.57 -41.93 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.97 27.1 6.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.6 128.82 37.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.885 ' O ' HG13 ' A' ' 67' ' ' VAL . 21.1 t -88.82 112.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -61.03 -12.36 11.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.6 -52.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -45.79 -43.46 13.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.742 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -70.15 -33.41 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.638 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -54.53 -53.82 49.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -61.92 -24.84 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -59.92 -59.51 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -64.19 -40.37 95.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 40' ' ' ALA . 78.7 mt -49.3 -48.09 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' A' ' 46' ' ' SER . 9.8 mtmt -46.31 -25.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 43' ' ' LEU . 7.5 mtmt -81.47 26.61 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.471 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 98.7 p -92.67 -81.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 167.01 -29.43 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.83 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 15.9 mt -71.83 160.82 81.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.63 2.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -82.8 -33.68 27.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.761 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.54 -67.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.489 HG21 ' HB1' ' A' ' 83' ' ' ALA . 7.8 mm -51.78 -37.78 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 8.0 mt -61.13 -52.02 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.31 -43.32 2.73 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.582 ' HB2' HG11 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -61.53 -45.59 93.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.511 HG12 HD22 ' A' ' 79' ' ' LEU . 16.6 mt -54.72 -57.53 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.657 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 38.2 t-105 -55.28 -53.76 52.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -45.11 -41.11 7.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.563 HD11 HD12 ' A' ' 91' ' ' LEU . 1.9 tm? -80.67 -29.17 36.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -66.98 -62.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.9 t70 -38.44 128.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -156.79 -44.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -46.16 -46.0 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.37 61.12 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.35 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 146.71 -54.36 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 34' ' ' VAL . 22.4 t -39.63 148.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.638 HD12 ' CB ' ' A' ' 39' ' ' ALA . 20.1 mt -99.51 171.62 7.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -138.25 -176.22 4.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.704 ' CB ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -53.74 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -38.11 -49.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.37 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 82.8 t80 -54.59 -35.13 63.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.996 ' CD2' HD22 ' A' ' 9' ' ' LEU . 2.9 m-85 -74.5 -3.42 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.5 t -102.97 -56.41 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.921 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -55.77 -25.3 40.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.66 -71.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.521 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.8 mmp_? -58.07 -41.32 83.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.511 HD22 HG12 ' A' ' 56' ' ' ILE . 1.3 tt -45.4 -42.8 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 76' ' ' ALA . 69.2 t -54.59 -48.69 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -58.02 -17.9 20.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 3.8 t -69.39 -65.29 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.83 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -58.23 -19.73 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.469 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -70.99 -7.25 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 50.9 t30 -114.81 -7.54 12.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.37 7.06 59.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.602 HD12 HG12 ' A' ' 98' ' ' VAL . 62.3 mt -77.86 177.5 8.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.0 OUTLIER -56.92 173.49 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 55' ' ' LYS . 5.2 t -114.04 -10.18 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.676 ' O ' HD23 ' A' ' 94' ' ' LEU . 6.3 m -94.32 150.06 20.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 59' ' ' LEU . 7.9 mt -60.06 -25.1 65.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -55.27 -18.86 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.452 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.65 28.47 8.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -108.69 -178.49 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p 76.08 33.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.442 HD11 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -117.5 -162.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.55 71.67 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.602 HG12 HD12 ' A' ' 87' ' ' LEU . 31.2 m -79.46 153.27 76.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.439 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.01 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.05 142.37 27.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.572 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.97 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -100.16 -30.76 11.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 27.5 m-85 -38.58 161.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -68.41 176.28 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 74' ' ' PHE . 88.9 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 14' ' ' SER . 4.5 m -55.98 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -33.73 71.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -41.86 -45.32 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.05 59.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER 55.82 18.47 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.75 44.19 32.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.722 ' CG ' HG12 ' A' ' 18' ' ' VAL . 12.8 t-20 -69.82 117.92 58.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.03 16.29 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.722 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.8 p -54.9 -50.83 58.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 5.3 m-30 -64.24 -35.08 79.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -42.31 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.543 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -50.06 -48.68 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 92.8 m-85 -69.22 -49.72 53.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 3.0 t80 -53.4 -22.97 8.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.24 -24.91 24.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -61.81 -38.82 89.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.73 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -73.32 -43.56 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 2.8 tm-20 -38.92 142.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.53 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -108.12 139.72 42.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.51 -168.58 52.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -114.31 44.09 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.02 -40.27 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.42 -17.28 23.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD2' HG21 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -85.52 139.53 31.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.665 HG13 HG23 ' A' ' 26' ' ' VAL . 68.8 t -89.68 111.03 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -55.06 -11.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.743 ' HB1' ' CH2' ' A' ' 57' ' ' TRP . . . 80.63 -54.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.04 -53.03 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.679 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -59.5 -40.98 88.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -46.02 -55.41 6.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.05 -29.43 57.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -67.79 -52.55 35.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.73 ' HB2' HG12 ' A' ' 26' ' ' VAL . 34.1 t80 -62.38 -32.42 73.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.6 mt -70.92 -47.27 60.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.43 -21.21 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -79.94 11.43 3.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.491 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 56.3 p -86.15 -60.74 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.3 -38.31 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 5.9 mp -62.73 164.01 13.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -98.41 -27.94 13.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.513 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -59.79 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.467 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.7 mm -55.15 -35.81 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.562 HD23 HD12 ' A' ' 56' ' ' ILE . 7.4 mt -63.38 -48.19 78.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.41 -44.61 5.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -60.66 -44.55 96.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.958 HG23 HD13 ' A' ' 79' ' ' LEU . 17.8 mt -57.11 -53.16 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.743 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 5.8 t-105 -55.12 -57.33 12.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.77 -30.75 6.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 79' ' ' LEU . 1.8 tm? -83.25 -31.67 26.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -78.43 -65.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' TRP . 15.1 t70 -39.18 130.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -162.14 -43.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -40.9 -47.6 2.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.87 -61.82 0.65 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 155.11 18.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.1 -43.22 88.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 34' ' ' VAL . 2.2 t -51.49 165.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.556 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 90.3 mt -99.73 163.01 12.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.471 ' HB2' ' CG ' ' A' ' 72' ' ' GLU . 1.4 m -96.8 -145.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.451 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -98.36 -97.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.58 -31.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 69' ' ' SER . 68.9 mm-40 -46.28 -76.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -49.82 -43.03 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.1 m-85 -57.71 -26.93 62.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.626 HG12 ' N ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -78.66 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -42.86 -30.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -59.81 -73.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.5 mmp_? -59.48 -21.01 59.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.958 HD13 HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -62.17 -43.13 99.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 76' ' ' ALA . 94.6 t -60.78 -37.28 75.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.7 -19.63 51.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 87' ' ' LEU . 4.2 t -77.38 -72.92 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.252 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.82 -25.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.445 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.5 mm-40 -52.25 -33.72 42.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.6 t30 -102.52 24.8 9.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.58 16.86 70.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 72.1 mt -77.68 165.67 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.516 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 3.5 tp10 -50.24 162.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.622 HG12 HG12 ' A' ' 56' ' ' ILE . 2.7 t -107.51 -11.59 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.636 ' O ' HD23 ' A' ' 94' ' ' LEU . 9.5 m -94.52 142.99 26.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.631 ' HA ' HD23 ' A' ' 94' ' ' LEU . 5.0 mt -56.8 -26.12 57.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -19.97 5.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.516 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -121.45 33.45 5.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 90' ' ' SER . 4.3 mm? -112.73 -178.13 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.2 p 78.45 27.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.45 -162.36 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.42 59.81 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 14.6 m -63.94 140.39 97.85 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.675 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.97 174.35 12.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.6 30.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 17.9 Cg_endo -75.06 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -100.08 -31.04 11.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.1 m-85 -40.32 163.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -7.32 34.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 70' ' ' LYS . 11.6 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 14' ' ' SER . 4.2 m -51.22 -52.39 44.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -71.02 -33.46 70.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -47.33 -40.47 17.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -164.8 61.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 40.68 28.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 72.17 55.98 6.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.533 ' CG ' HG12 ' A' ' 18' ' ' VAL . 36.3 t-20 -97.87 117.05 65.62 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.83 20.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.533 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.2 p -46.31 -36.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.1 m-85 -66.55 -40.04 88.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -40.55 34.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.28 -64.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 14.8 m-85 -57.62 -43.98 85.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 33.7 t80 -54.24 -30.32 49.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -24.52 28.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -63.05 -40.12 96.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.606 HG23 HG23 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -75.19 -42.21 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' VAL . 2.4 tt0 -38.69 132.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.79 149.2 24.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.3 -178.95 4.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -109.18 43.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.8 p -93.78 -32.08 14.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.85 24.02 10.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -135.17 143.3 46.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.903 ' O ' HG13 ' A' ' 67' ' ' VAL . 1.6 p -95.51 115.59 34.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.734 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -60.07 -12.87 9.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 89.25 -56.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -40.33 -38.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -73.46 -48.35 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.842 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -48.75 -41.64 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.638 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -66.96 -30.64 70.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -66.18 -56.31 12.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' HB2' HG12 ' A' ' 26' ' ' VAL . 80.8 t80 -56.91 -33.66 67.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 40' ' ' ALA . 41.2 mt -64.24 -47.7 78.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -20.31 6.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -76.21 -1.91 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 60.6 p -69.71 -70.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.58 -25.79 0.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.766 HD12 HG13 ' A' ' 80' ' ' VAL . 9.8 mt -67.02 162.61 52.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.13 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -94.67 -31.92 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.26 -60.2 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.471 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.6 mt -58.23 -35.32 52.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 56' ' ' ILE . 9.4 mt -63.11 -51.27 67.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.68 -46.61 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -60.47 -43.72 96.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 53' ' ' LEU . 14.8 mt -57.11 -53.82 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.638 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 28.4 t-105 -55.16 -56.29 21.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 108.044 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.97 -44.58 15.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.635 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.5 tm? -73.83 -29.23 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -68.19 -62.82 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' ALA . 29.6 t0 -39.14 123.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.4 m -157.3 -44.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -46.61 -46.27 19.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.79 43.3 0.81 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.25 169.25 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -64.57 -60.61 6.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.903 HG13 ' O ' ' A' ' 34' ' ' VAL . 36.2 t -39.33 146.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.842 HD12 ' CB ' ' A' ' 39' ' ' ALA . 77.8 mt -102.12 169.42 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 m -123.99 -160.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.616 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -70.08 -93.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' VAL . 6.4 mt-30 -38.2 -47.7 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -43.4 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CE1' HD12 ' A' ' 77' ' ' LEU . 9.8 t80 -59.49 -39.62 84.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.4 m-85 -64.69 -15.42 61.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.5 t -89.97 -63.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.977 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -48.28 -26.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.547 HD12 ' CE1' ' A' ' 73' ' ' PHE . 1.1 mt -62.78 -75.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -55.01 -41.61 71.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.615 HD21 ' O ' ' A' ' 89' ' ' VAL . 2.9 tt -43.94 -40.68 4.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 76' ' ' ALA . 84.2 t -60.45 -44.31 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.644 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -62.88 -15.94 56.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.519 ' HA ' HG23 ' A' ' 98' ' ' VAL . 1.8 t -75.88 -69.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.314 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.9 -20.15 14.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.446 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.2 -15.26 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.472 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 2.4 t30 -107.8 13.67 26.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.83 7.05 86.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 85' ' ' ASN . 4.3 mt -77.8 177.99 7.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 93' ' ' SER . 5.9 tt0 -53.03 161.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.615 ' O ' HD21 ' A' ' 79' ' ' LEU . 7.3 t -105.48 2.14 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.2 m -94.61 160.55 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.512 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.0 mt -60.78 -21.56 63.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.36 -47.25 72.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.579 ' HA ' HD12 ' A' ' 96' ' ' LEU . 50.1 p -74.24 -22.57 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.613 HD22 HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -63.06 -37.14 86.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.0 p -57.63 -19.87 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 93' ' ' SER . 7.6 mt -74.33 -167.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.42 56.78 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.613 HG11 HD22 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -42.64 132.8 2.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.644 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.09 174.76 12.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -75.0 141.66 26.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.541 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.05 -164.45 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -100.08 -30.08 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 27.5 m-85 -38.52 161.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.61 174.06 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.639 HD22 ' CG ' ' A' ' 74' ' ' PHE . 14.1 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.5 m -47.92 -71.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -32.95 70.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.4 tm? -45.58 -42.43 11.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -167.59 61.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 46.67 25.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.0 51.96 26.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.507 ' CG ' HG12 ' A' ' 18' ' ' VAL . 9.0 t-20 -83.95 114.0 51.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.02 9.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.507 HG12 ' CG ' ' A' ' 16' ' ' ASN . 13.0 p -57.79 -39.8 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 8.1 m-85 -66.29 -32.35 73.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -32.43 57.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.566 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 1.6 ttpt -62.41 -37.94 87.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 9.1 m-30 -75.06 -54.74 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 2.6 t80 -53.39 -20.84 4.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -25.97 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -62.28 -35.25 78.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.583 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -87.44 -29.47 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.549 ' HA ' HG23 ' A' ' 34' ' ' VAL . 2.5 tt0 -55.01 144.43 23.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -114.12 160.7 18.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.49 -175.04 1.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -118.76 48.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.1 p -101.41 -37.28 8.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.65 12.81 20.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -118.16 138.7 52.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.978 ' O ' HG13 ' A' ' 67' ' ' VAL . 5.0 p -101.48 120.51 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.668 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.9 mt -63.36 -12.61 31.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 81.3 -51.92 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ALA . 2.5 mm? -38.8 -39.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -71.34 -49.01 46.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -46.22 -43.22 15.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.39 84.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -65.43 -45.45 83.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.583 ' HB2' HG12 ' A' ' 26' ' ' VAL . 11.0 t80 -62.94 -38.37 90.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.548 HD22 HG21 ' A' ' 80' ' ' VAL . 77.3 mt -59.82 -46.47 89.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -53.93 -21.58 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -76.12 -1.78 27.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 90.9 p -72.57 -74.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.42 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 164.84 -29.79 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 83' ' ' ALA . 13.3 mt -72.85 161.87 77.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.911 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.01 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.35 -24.8 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.815 HD12 HG12 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -58.54 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.815 HG12 HD12 ' A' ' 51' ' ' LEU . 2.7 mm -47.8 -35.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.911 HD12 ' O ' ' A' ' 49' ' ' PRO . 5.4 mt -61.4 -46.84 88.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -46.32 -39.84 10.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -63.85 -41.87 97.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.286 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.77 HG12 HD22 ' A' ' 79' ' ' LEU . 55.2 mt -57.1 -56.98 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.614 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 8.9 t-105 -54.37 -54.37 41.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.5 -29.43 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.635 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.9 tm? -88.79 -29.52 19.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -74.97 -62.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' ALA . 2.0 t70 -38.77 129.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -159.43 -44.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.47 -47.77 38.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.28 -56.2 0.73 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.143 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' GLY . 1.8 ttmt -81.13 141.57 34.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -37.39 -42.82 0.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.978 HG13 ' O ' ' A' ' 34' ' ' VAL . 53.9 t -40.4 146.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.607 HD21 ' CZ2' ' A' ' 57' ' ' TRP . 20.2 mt -100.25 169.24 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.5 m -126.24 179.22 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -54.14 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.586 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.15 -52.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -39.53 -71.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 6.1 t80 -57.25 -41.18 79.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.1 m-85 -61.41 -20.49 63.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.2 t -85.35 -64.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -44.36 -28.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 77' ' ' LEU . 1.1 mt -60.63 -77.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.477 ' CD ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -53.88 -31.15 48.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.77 HD22 HG12 ' A' ' 56' ' ' ILE . 1.6 tt -56.15 -40.18 73.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 76' ' ' ALA . 42.6 t -57.11 -41.65 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.802 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -60.24 -21.38 61.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.499 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -68.91 -67.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.228 -179.932 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.659 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -52.49 -21.92 4.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.477 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -69.97 -14.39 62.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 6.6 t30 -107.79 -14.91 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.75 5.49 56.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mt -77.6 164.11 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -41.61 163.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 56' ' ' ILE . 4.4 t -103.21 1.12 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -94.51 163.23 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.635 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.7 mt -61.75 -21.34 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -51.02 -48.4 61.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.487 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -73.5 -22.85 60.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.552 HD23 HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -64.05 -36.93 85.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.5 p -51.99 -23.14 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 93' ' ' SER . 1.8 mt -79.23 -166.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.13 73.16 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.552 HG11 HD23 ' A' ' 94' ' ' LEU . 8.9 m -54.47 146.55 32.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.802 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 174.98 11.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.06 142.53 27.77 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.08 -165.28 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.802 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.7 -29.74 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 25.3 m-85 -38.38 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 105' ' ' ASP . 80.6 t60 -79.38 171.15 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.61 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.048 HD13 ' CE1' ' A' ' 74' ' ' PHE . 3.9 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' GLY . 14.4 m -46.95 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.38 -32.36 66.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.12 -16.73 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -149.12 36.64 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.031 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.45 29.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' N ' ' C ' ' A' ' 13' ' ' SER . . . 89.22 58.46 1.66 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 5.3 t-20 -135.99 108.83 9.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.01 0.79 8.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.544 1.812 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.662 HG13 ' HD1' ' A' ' 19' ' ' TYR . 6.8 p -44.82 -39.3 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.662 ' HD1' HG13 ' A' ' 18' ' ' VAL . 8.6 m-85 -66.58 -36.79 83.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -58.85 -34.33 71.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -51.89 -53.55 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.425 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.1 m-85 -68.17 -44.64 75.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 48.8 t80 -52.08 -27.52 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -83.96 -28.33 27.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -61.92 -37.63 85.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.632 HG23 HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -76.07 -40.28 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.1 tt0 -40.91 143.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -123.8 144.14 49.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.25 -169.85 54.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -119.01 49.87 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.1 p -108.08 -29.34 9.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.71 25.43 20.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -130.71 145.63 51.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.782 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.0 p -91.68 116.88 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.736 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.9 mt -57.61 -13.72 4.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 88.5 -55.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -47.85 -38.37 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -72.99 -32.11 64.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.801 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -59.17 -40.41 85.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.03 -29.74 66.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -63.05 -55.23 27.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.68 ' HE2' HD21 ' A' ' 77' ' ' LEU . 29.3 t80 -59.89 -40.82 90.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 80' ' ' VAL . 79.4 mt -58.46 -46.37 86.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -20.08 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -78.42 2.46 18.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . 53.8 p -73.67 -69.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.01 -26.57 0.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.713 HD12 HG13 ' A' ' 80' ' ' VAL . 10.3 mt -64.4 163.08 28.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.97 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -97.23 -36.81 10.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.94 -54.31 47.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.694 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 mm -61.98 -35.21 67.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 10.3 mt -64.09 -52.03 61.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.64 -41.38 3.26 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.69 ' HB2' HG11 ' A' ' 89' ' ' VAL . 4.6 mtmt -62.08 -43.93 97.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 0.713 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.722 HG12 HD22 ' A' ' 79' ' ' LEU . 8.5 mt -56.75 -57.53 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.611 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 28.3 t-105 -55.23 -50.96 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -43.77 -45.98 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.853 HD11 ' HG ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -80.07 -27.53 39.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -63.18 -59.53 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -37.67 140.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.64 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.61 38.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.02 -133.71 11.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' CE ' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -162.86 168.92 20.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.473 ' C ' HG23 ' A' ' 67' ' ' VAL . . . 88.31 -16.48 52.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.565 1.166 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 34' ' ' VAL . 26.0 t -154.99 149.61 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.801 HD12 ' CB ' ' A' ' 39' ' ' ALA . 7.5 mt -99.37 179.96 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.04 155.37 45.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -47.58 -72.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' H ' ' CG ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -49.97 -60.38 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' VAL . 1.6 mm-40 -39.52 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 14.8 t80 -47.2 -42.68 20.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 1.048 ' CE1' HD13 ' A' ' 9' ' ' LEU . 1.2 m-85 -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -79.41 -56.13 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -52.52 -46.97 66.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.68 HD21 ' HE2' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -43.49 -63.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.48 ' CZ ' ' HG3' ' A' ' 101' ' ' PRO . 1.9 mmp_? -64.4 -33.33 75.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.722 HD22 HG12 ' A' ' 56' ' ' ILE . 2.4 tt -55.92 -37.8 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.713 HG13 HD12 ' A' ' 48' ' ' LEU . 92.2 t -60.5 -37.42 74.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.872 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.59 -18.7 64.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.753 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.7 OUTLIER -72.46 -70.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.41 -22.58 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.45 -13.52 30.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.455 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.8 t30 -109.8 -14.04 14.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.91 49.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.71 169.59 18.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.07 162.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.69 HG11 ' HB2' ' A' ' 55' ' ' LYS . 11.8 t -104.93 -0.02 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.2 m -94.41 164.33 13.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.853 ' HG ' HD11 ' A' ' 59' ' ' LEU . 6.9 mt -60.72 -22.79 64.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -47.97 58.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.521 ' HA ' HD12 ' A' ' 96' ' ' LEU . 1.3 m -72.65 -23.94 60.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.609 HD23 HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -62.4 -36.46 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.5 p -52.87 -22.68 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 93' ' ' SER . 2.0 mt -80.65 -167.62 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.21 74.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.753 HG12 ' SG ' ' A' ' 82' ' ' CYS . 5.7 m -53.06 144.61 27.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.872 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 174.88 12.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.02 139.79 24.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -162.94 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -101.86 -30.38 11.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 28.6 m-85 -38.47 161.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.65 137.07 57.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.615 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.584 HD22 ' CG ' ' A' ' 74' ' ' PHE . 5.8 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' SER . 7.7 p -56.39 -49.58 74.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -32.55 58.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -48.52 -43.6 35.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.74 56.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 58.69 14.92 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 81.51 42.66 9.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.722 ' CG ' HG12 ' A' ' 18' ' ' VAL . 34.9 t-20 -71.17 118.19 63.49 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.26 21.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.722 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.2 p -46.03 -41.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.64 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.8 m-85 -66.29 -37.69 86.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -38.14 34.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.552 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.03 -43.49 66.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 12.6 m-85 -74.4 -49.83 20.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 3.1 t80 -54.27 -28.3 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -29.11 35.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -32.9 72.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.591 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -86.81 -26.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.31 140.42 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.36 166.1 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.58 -170.55 1.3 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -124.27 52.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.2 p -111.94 -31.23 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.76 14.68 22.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' CZ ' HG11 ' A' ' 67' ' ' VAL . 4.0 mmm180 -115.1 141.22 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.965 ' O ' HG13 ' A' ' 67' ' ' VAL . 6.2 p -101.76 117.13 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.664 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -61.95 -12.81 20.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 81.68 -51.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ALA . 3.3 mm? -38.98 -46.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -64.43 -47.31 79.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.574 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -48.03 -38.97 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.07 -33.79 76.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -70.63 -47.83 58.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.591 ' HB2' HG12 ' A' ' 26' ' ' VAL . 21.4 t80 -55.25 -39.54 69.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 80' ' ' VAL . 70.3 mt -55.67 -44.6 77.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -53.44 -23.12 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -78.82 2.7 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 79.5 p -78.17 -74.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.443 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 163.83 -30.29 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.702 HD12 HG13 ' A' ' 80' ' ' VAL . 16.4 mt -69.38 161.51 73.08 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.542 0.789 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -171.9 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -87.76 -33.41 18.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.45 -68.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.482 HG21 ' HB1' ' A' ' 83' ' ' ALA . 4.9 mm -51.31 -37.17 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 56' ' ' ILE . 8.8 mt -62.49 -49.01 77.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.07 -39.91 3.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.871 ' HB2' HG11 ' A' ' 89' ' ' VAL . 16.5 mttt -65.56 -42.38 91.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.674 HG13 HG13 ' A' ' 89' ' ' VAL . 17.1 mt -57.01 -56.19 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.631 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 36.8 t-105 -55.43 -51.44 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -44.09 -44.22 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.785 HD11 ' HG ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -81.03 -27.62 35.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -67.44 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.3 t70 -37.82 136.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.6 m -151.39 -44.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -60.0 -49.46 77.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.79 -66.89 0.49 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -41.08 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 174.65 -50.12 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.965 HG13 ' O ' ' A' ' 34' ' ' VAL . 22.9 t -38.76 148.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.587 ' HB2' HG11 ' A' ' 34' ' ' VAL . 30.7 mt -100.31 163.43 12.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -111.05 -148.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -83.18 -96.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -44.26 -29.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -49.64 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 4.2 t80 -51.15 -31.7 20.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.2 m-85 -69.99 -21.43 63.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 76' ' ' ALA . 2.1 t -83.55 -62.2 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -47.38 -26.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -65.78 -74.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.502 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -51.63 -29.91 19.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.686 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.1 tt -57.74 -43.55 85.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 76' ' ' ALA . 85.0 t -54.72 -36.94 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.872 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.88 -17.43 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.798 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -76.98 -70.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.259 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -50.46 -23.4 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.456 ' N ' HD11 ' A' ' 48' ' ' LEU . 2.3 mm-40 -56.27 -25.0 46.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -103.57 -16.71 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.95 12.95 21.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 mt -77.91 172.78 12.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 93' ' ' SER . 2.9 tp10 -51.29 161.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.871 HG11 ' HB2' ' A' ' 55' ' ' LYS . 34.7 t -104.24 -1.47 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.23 165.35 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.785 ' HG ' HD11 ' A' ' 59' ' ' LEU . 6.1 mt -61.45 -21.37 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -51.34 -48.75 62.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.036 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 88' ' ' GLU . 86.1 p -73.3 -22.48 60.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.478 ' CB ' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -65.48 -36.88 85.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.7 p -53.28 -25.02 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.08 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 93' ' ' SER . 1.4 mt -77.3 -163.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.78 64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.798 HG12 ' SG ' ' A' ' 82' ' ' CYS . 9.7 m -43.57 146.28 0.98 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.872 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 174.82 12.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -74.97 140.76 25.9 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -164.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.73 -30.15 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 27.6 m-85 -38.92 161.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.84 170.75 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.609 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.988 HD22 ' CG ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' SER . 6.4 m -47.51 -54.32 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -76.36 -32.11 58.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -42.04 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.41 58.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 54.79 18.63 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.23 29.88 55.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -55.82 121.06 37.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.47 7.72 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -56.74 -43.0 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 18.1 m-85 -66.77 -34.62 78.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -33.77 65.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -38.15 85.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 20.4 m-85 -77.79 -42.64 33.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.534 ' CE1' HG11 ' A' ' 34' ' ' VAL . 13.8 t80 -54.04 -33.26 56.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -24.69 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -34.94 77.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.641 HG23 HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -87.6 -25.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -61.77 117.12 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.084 ' HB3' HG21 ' A' ' 31' ' ' THR . . . -49.41 166.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.993 ' O ' HG23 ' A' ' 31' ' ' THR . . . -79.89 149.66 31.61 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.47 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 0.5 OUTLIER 37.26 51.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 31' ' ' THR . . . . . 1.084 HG21 ' HB3' ' A' ' 28' ' ' ALA . 22.2 p -119.9 -38.41 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.92 -22.88 8.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 164.18 28.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 67' ' ' VAL . 1.9 p -92.35 112.2 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.728 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -57.1 -15.0 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.793 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 86.56 -48.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -40.07 -45.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.1 m-20 -73.4 -41.82 62.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.598 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.69 -38.45 55.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.68 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -70.73 -32.37 69.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.12 68.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.556 ' HB2' HG12 ' A' ' 26' ' ' VAL . 83.8 t80 -66.42 -29.08 69.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 45' ' ' LYS . 72.3 mt -75.01 -46.74 33.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -20.9 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 43' ' ' LEU . 2.2 mmmt -71.06 -5.08 28.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.538 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 24.2 p -68.24 -55.95 10.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.23 -35.9 1.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.519 HD12 HG13 ' A' ' 80' ' ' VAL . 2.1 mt -60.69 162.35 12.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.409 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 -165.45 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -95.23 -28.61 14.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.452 HD23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.48 -61.07 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.452 HG13 HD23 ' A' ' 51' ' ' LEU . 1.8 mt -56.03 -37.2 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.56 HD23 HD12 ' A' ' 56' ' ' ILE . 7.9 mt -63.6 -49.5 73.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.14 -44.94 3.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HB2' HG11 ' A' ' 89' ' ' VAL . 6.5 mtmt -60.62 -45.46 93.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.734 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.849 HG23 HD13 ' A' ' 79' ' ' LEU . 57.8 mt -55.87 -55.62 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.793 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 16.8 t-105 -55.35 -55.85 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 108.021 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.34 -29.52 4.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.566 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.9 tm? -88.8 -29.31 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -71.29 -58.91 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ALA . 37.8 t70 -39.48 126.0 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -164.64 -43.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -46.87 -40.24 13.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.88 11.39 16.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.52 142.24 26.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -43.8 -48.81 7.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 34' ' ' VAL . 38.9 t -45.36 147.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.598 HD12 ' CB ' ' A' ' 39' ' ' ALA . 21.3 mt -102.12 173.55 6.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -128.24 -156.31 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -77.05 -88.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -38.02 -52.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -43.71 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' A' ' 23' ' ' TYR . 48.4 t80 -51.67 -32.17 28.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.988 ' CG ' HD22 ' A' ' 9' ' ' LEU . 2.8 m-85 -79.94 -0.88 36.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.451 HG11 HD11 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -104.46 -55.29 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -56.61 -31.74 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -55.02 -72.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.489 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -55.4 -32.77 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.849 HD13 HG23 ' A' ' 56' ' ' ILE . 2.0 tt -50.25 -48.27 54.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.519 HG13 HD12 ' A' ' 48' ' ' LEU . 79.7 t -51.68 -43.71 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -56.91 -18.38 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.6 t -73.49 -69.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 108.304 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.6 -21.41 3.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.455 ' HG2' HD11 ' A' ' 48' ' ' LEU . 2.5 mm-40 -62.13 -25.6 67.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 29.5 t-20 -100.17 -10.85 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.43 11.48 47.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 70.7 mt -77.81 179.26 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.41 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 5.2 tt0 -58.18 166.51 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 55' ' ' LYS . 10.9 t -107.57 -10.16 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 94' ' ' LEU . 3.6 m -94.46 141.42 28.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.066 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.707 ' HA ' HD23 ' A' ' 94' ' ' LEU . 3.8 mt -52.36 -24.34 7.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -53.28 -20.5 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.582 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -121.09 32.16 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.936 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.707 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.4 mm? -111.35 -176.05 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 p 72.78 27.73 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -109.94 -165.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.25 61.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 m -72.25 154.68 92.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.47 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.04 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.96 146.88 33.36 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.03 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 46' ' ' SER . 1.9 tpt180 -99.61 -31.36 11.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 22.8 m-85 -40.14 162.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 173.21 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.005 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' SER . 17.3 m -53.92 -51.08 64.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -33.08 57.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -51.44 -45.76 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.21 55.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 59.88 13.82 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.44 ' N ' ' HA ' ' A' ' 10' ' ' THR . . . 81.76 42.56 8.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.686 ' CG ' HG12 ' A' ' 18' ' ' VAL . 38.0 t-20 -67.35 126.1 92.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.01 -18.59 18.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.686 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.0 p -41.86 -44.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.703 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 17.8 m-85 -66.66 -38.83 87.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -54.83 -39.84 68.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.44 -52.8 15.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -67.59 -52.81 34.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.796 ' CE1' HG21 ' A' ' 34' ' ' VAL . 12.5 t80 -52.79 -23.07 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -24.65 28.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -63.96 -38.81 92.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.2 m -67.43 -34.5 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -38.98 146.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.23 169.0 18.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.08 -167.02 7.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -116.24 47.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.48 -29.54 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.38 -0.2 80.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -116.25 158.7 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.796 HG21 ' CE1' ' A' ' 23' ' ' TYR . 75.8 t -85.21 114.55 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.688 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -63.51 -11.58 25.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.19 -53.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -40.37 -57.79 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.701 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -57.71 -39.51 77.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -48.63 -53.28 19.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.82 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -71.5 -55.46 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.624 ' HB2' HG12 ' A' ' 26' ' ' VAL . 47.5 t80 -55.46 -29.77 59.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.04 -48.25 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -54.21 -19.95 6.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -78.29 1.41 21.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 91.2 p -74.94 -78.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 164.18 -27.26 0.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.566 HD12 HG13 ' A' ' 80' ' ' VAL . 13.0 mt -71.15 162.67 71.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.78 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.443 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.01 175.87 10.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.96 -30.23 44.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -60.07 -64.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.544 HG23 HG21 ' A' ' 89' ' ' VAL . 1.9 mt -56.6 -35.16 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 49' ' ' PRO . 6.9 mt -62.63 -50.09 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.65 -44.67 4.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -61.85 -42.53 99.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.517 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 31.9 mt -57.19 -57.65 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.512 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 20.9 t-105 -55.51 -53.72 52.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -43.73 -46.5 7.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 91' ' ' LEU . 2.2 tm? -75.46 -30.64 60.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -65.36 -65.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.1 t0 -38.9 131.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -155.35 -46.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.8 -55.53 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.94 -116.65 0.42 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.21 163.44 15.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.501 ' O ' HG22 ' A' ' 67' ' ' VAL . . . 85.37 -15.38 45.7 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -154.26 162.55 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 0.8 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.532 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 89.6 mt -120.36 158.18 27.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.428 ' HB2' ' HG2' ' A' ' 72' ' ' GLU . 56.1 m -91.03 -98.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.412 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -159.26 -63.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER -54.47 -46.54 73.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' N ' ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -49.32 -70.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.4 t80 -53.16 -23.68 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 1.005 ' CZ ' HD13 ' A' ' 9' ' ' LEU . 1.4 m-85 -77.22 -20.95 54.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.613 HG11 HD11 ' A' ' 91' ' ' LEU . 1.1 t -87.07 -56.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.553 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -48.8 -37.06 18.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -49.3 -68.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' NH1' ' OH ' ' A' ' 19' ' ' TYR . 5.2 mmp_? -64.6 -25.59 68.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.496 ' CD2' HD21 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -58.41 -38.71 77.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 ' HB2' ' A' ' 46' ' ' SER . 17.3 t -60.41 -51.16 76.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.873 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -55.38 -24.26 28.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.584 ' HA ' HG23 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -71.12 -66.17 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.305 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.25 -21.72 60.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -60.95 -13.89 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.9 t-20 -112.78 16.64 19.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.74 10.48 86.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.592 1.182 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.3 mt -78.31 167.64 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.495 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -50.46 170.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.544 HG21 HG23 ' A' ' 52' ' ' ILE . 16.3 t -115.03 -9.8 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.762 ' O ' HD23 ' A' ' 94' ' ' LEU . 12.0 m -94.39 151.41 19.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.613 HD11 HG11 ' A' ' 75' ' ' VAL . 7.3 mt -64.3 -23.75 67.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 m -58.76 -20.15 46.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.495 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -119.9 32.33 6.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 90' ' ' SER . 3.6 mm? -109.09 -169.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.9 t 64.38 38.81 7.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.71 -157.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.88 54.85 3.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.584 HG23 ' HA ' ' A' ' 82' ' ' CYS . 1.6 p -63.92 128.14 92.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.873 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 174.77 12.21 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.435 1.755 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.98 144.4 30.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.553 1.818 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.97 -165.32 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.809 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 15.9 ttt-85 -99.69 -30.05 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 28.6 m-85 -38.52 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -66.99 170.42 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.629 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -118.35 172.39 7.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.65 HD11 ' HB3' ' A' ' 70' ' ' LYS . 20.6 mt -49.21 -36.05 18.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' SER . 87.9 m -49.67 -70.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -59.46 -33.59 71.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.5 tm? -45.85 -40.9 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -166.71 61.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.941 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 41.67 28.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 68.28 51.65 31.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.661 ' CG ' HG12 ' A' ' 18' ' ' VAL . 11.3 t-20 -88.08 114.52 59.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.754 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.96 -12.38 21.6 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.661 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.6 p -45.08 -40.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 11.6 m-85 -66.32 -37.33 85.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -52.13 -35.19 47.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.55 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -55.62 -40.78 72.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 13.7 m-85 -76.38 -47.6 22.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CE1' HG21 ' A' ' 34' ' ' VAL . 21.7 t80 -54.17 -23.71 15.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -24.02 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.16 -37.84 86.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -78.75 -41.4 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -38.67 137.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -111.57 157.57 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.45 -165.55 53.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.02 55.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.7 p -114.35 -37.51 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.37 30.73 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -134.78 143.67 47.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.275 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.921 ' O ' HG13 ' A' ' 67' ' ' VAL . 44.4 t -90.01 114.54 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.702 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -61.83 -11.91 14.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 84.73 -54.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -43.64 -51.46 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -59.07 -37.52 77.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -49.88 -55.65 13.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.34 -31.12 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -65.92 -49.73 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.682 ' HB2' HG12 ' A' ' 26' ' ' VAL . 84.8 t80 -65.57 -33.94 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' SER . 80.1 mt -67.37 -48.25 68.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -21.03 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -78.34 2.49 18.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.4 p -75.24 -71.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 154.09 -28.17 0.72 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.621 HD12 HG13 ' A' ' 80' ' ' VAL . 9.0 mt -65.67 161.77 49.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 169.51 22.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.07 -31.6 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.5 -64.65 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.602 HG21 ' HB1' ' A' ' 83' ' ' ALA . 5.5 mm -54.89 -36.69 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.833 HD23 HD12 ' A' ' 56' ' ' ILE . 9.3 mt -61.65 -50.32 72.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.39 -43.96 3.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.715 ' HB2' HG11 ' A' ' 89' ' ' VAL . 8.9 mttt -60.34 -43.55 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.833 HD12 HD23 ' A' ' 53' ' ' LEU . 73.5 mt -56.93 -54.56 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.478 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 30.3 t-105 -55.45 -56.05 24.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -44.96 -51.11 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -69.83 -27.18 64.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -72.42 -70.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 30.3 t0 -38.26 127.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 m -160.93 -43.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.93 -46.9 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.36 -62.12 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -76.51 146.21 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -44.28 -46.99 8.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.8 t -39.73 148.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.536 HD12 ' HB2' ' A' ' 39' ' ' ALA . 90.4 mt -100.21 174.91 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.423 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -127.35 -150.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.65 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -83.24 -94.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.609 ' OE1' HD23 ' A' ' 12' ' ' LEU . 1.4 mm100 -39.98 -50.94 2.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -39.74 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 10.3 t80 -60.28 -42.99 96.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.635 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.9 m-85 -60.66 -19.16 57.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 76' ' ' ALA . 2.0 t -84.48 -65.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.07 -30.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -59.53 -77.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.449 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -53.56 -26.34 20.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.751 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.1 tt -57.48 -46.46 83.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 76' ' ' ALA . 59.5 t -54.13 -36.89 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -65.82 -13.75 60.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -75.51 -67.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 108.297 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.602 ' HB1' HG21 ' A' ' 52' ' ' ILE . . . -55.46 -19.91 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.31 -25.94 68.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.461 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 22.4 t30 -103.38 -9.2 19.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 97.64 12.82 46.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.495 ' CD1' HG12 ' A' ' 98' ' ' VAL . 94.0 mt -77.88 -178.97 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.796 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.7 OUTLIER -60.13 173.04 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 55' ' ' LYS . 13.3 t -115.06 -9.8 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.721 ' O ' HD23 ' A' ' 94' ' ' LEU . 37.7 m -94.53 153.44 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.601 ' HA ' HD23 ' A' ' 94' ' ' LEU . 8.0 mt -62.46 -24.68 67.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.9 t -56.28 -18.32 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.516 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -120.84 29.62 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.43 -177.69 3.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 p 72.89 35.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.516 HD11 ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -116.5 -161.96 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.47 57.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.495 HG12 ' CD1' ' A' ' 87' ' ' LEU . 15.7 m -68.2 156.81 89.17 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.489 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.05 173.88 13.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.99 145.95 32.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.512 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.92 -163.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -99.76 -31.08 11.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.0 m-85 -39.35 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -65.95 166.15 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.647 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.36 -179.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 70' ' ' LYS . 40.0 mt -81.27 -33.93 32.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.2 m -49.24 -64.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.31 -33.92 75.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -45.23 -41.1 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -167.61 62.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 42.36 27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.987 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.85 52.86 17.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.649 ' CG ' HG12 ' A' ' 18' ' ' VAL . 18.5 t-20 -89.41 114.61 61.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.41 18.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.649 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.4 p -52.0 -38.66 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.637 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 12.0 m-85 -66.46 -34.68 78.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -39.63 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 22' ' ' TYR . 4.7 ptmt -49.19 -44.06 42.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CE1' ' HD3' ' A' ' 21' ' ' LYS . 12.1 m-85 -75.89 -46.8 28.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -51.45 -28.93 14.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -89.47 -24.05 21.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.48 -32.61 73.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.678 HG23 HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -85.72 -40.7 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -39.03 139.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.33 147.56 34.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.65 -170.48 51.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -121.62 51.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.8 p -107.32 -33.08 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.12 25.11 8.07 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -130.73 141.46 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.942 ' O ' HG13 ' A' ' 67' ' ' VAL . 71.0 t -91.99 115.92 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.698 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -61.3 -12.3 13.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.02 -50.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -44.27 -44.6 8.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -70.51 -35.81 73.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.626 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -57.46 -35.71 70.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.15 57.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.42 -47.21 35.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.565 ' HB2' HG12 ' A' ' 26' ' ' VAL . 22.2 t80 -61.84 -45.58 93.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 46' ' ' SER . 21.1 mt -52.3 -48.43 65.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' A' ' 46' ' ' SER . 1.9 mttm -47.44 -24.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -81.46 24.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB2' HG11 ' A' ' 80' ' ' VAL . 86.9 p -97.38 -74.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 160.29 -26.68 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.122 HD12 HG13 ' A' ' 80' ' ' VAL . 14.5 mt -67.66 161.85 62.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.94 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.798 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.57 -37.42 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -60.24 -54.1 49.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.677 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 mm -63.3 -34.68 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.787 HD23 HD12 ' A' ' 56' ' ' ILE . 8.6 mt -63.58 -51.82 63.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.11 -45.74 4.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -57.61 -44.31 85.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.787 HD12 HD23 ' A' ' 53' ' ' LEU . 47.3 mt -56.15 -54.49 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.64 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 26.9 t-105 -55.34 -55.87 26.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 107.956 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -43.45 -49.37 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 91' ' ' LEU . 1.6 tm? -71.06 -31.22 67.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.28 -68.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ALA . 23.2 t70 -38.75 126.98 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 m -161.78 -43.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.382 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -49.22 -47.54 46.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.49 -57.62 0.67 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -82.48 139.13 34.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.738 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.55 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -39.19 -41.28 1.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.942 HG13 ' O ' ' A' ' 34' ' ' VAL . 45.8 t -43.74 145.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.626 HD12 ' CB ' ' A' ' 39' ' ' ALA . 31.4 mt -99.94 171.16 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -123.99 -149.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.07 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.724 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -83.12 -90.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 6.2 mt-30 -39.28 -47.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.087 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -43.27 -72.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.44 -40.02 77.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.637 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -66.61 -10.76 49.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -93.41 -60.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.557 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -48.1 -28.07 2.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.712 HD23 ' CE2' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -61.14 -69.36 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.498 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -61.03 -25.86 67.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.767 HD21 ' O ' ' A' ' 89' ' ' VAL . 0.9 OUTLIER -57.77 -41.1 81.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.122 HG13 HD12 ' A' ' 48' ' ' LEU . 44.8 t -60.07 -40.28 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.706 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -61.88 -14.81 37.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.605 ' SG ' HG11 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -77.29 -68.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 108.292 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -56.0 -19.68 13.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -61.16 -23.28 65.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.467 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 21.0 t-20 -102.83 -11.46 18.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.06 10.44 39.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD12 HG12 ' A' ' 98' ' ' VAL . 72.4 mt -77.93 -179.69 6.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -60.71 165.44 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.767 ' O ' HD21 ' A' ' 79' ' ' LEU . 8.9 t -106.41 -10.74 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.607 ' O ' HD23 ' A' ' 94' ' ' LEU . 71.0 m -94.36 150.57 20.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.741 HD12 HD11 ' A' ' 59' ' ' LEU . 6.1 mt -58.42 -25.38 62.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 m -52.29 -20.91 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.496 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -120.45 32.05 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.2 mm? -109.75 -177.51 3.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p 74.8 31.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.443 HD11 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -115.79 -161.12 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.35 68.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.605 HG11 ' SG ' ' A' ' 82' ' ' CYS . 15.7 m -77.25 157.15 81.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.706 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 174.39 12.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.02 147.51 33.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.506 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.05 -163.52 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -99.65 -30.66 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.712 ' CE2' HD23 ' A' ' 77' ' ' LEU . 25.8 m-85 -39.04 161.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 171.22 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 8.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.455 ' HB2' HG22 ' A' ' 10' ' ' THR . 13.7 m -46.0 171.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.75 HD22 ' CG ' ' A' ' 74' ' ' PHE . 14.6 mt -52.52 -38.67 60.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' SER . 1.7 t -48.55 -54.46 14.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' HG23 ' A' ' 10' ' ' THR . 1.2 mm-40 -76.18 -33.12 59.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -49.75 -38.32 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' ASN . 0.4 OUTLIER -170.17 60.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 44.88 26.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 67.42 40.46 91.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.686 ' CG ' HG12 ' A' ' 18' ' ' VAL . 8.8 t-20 -68.58 121.27 80.28 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -9.4 20.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.686 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.0 p -53.8 -43.76 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.631 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 19.0 m-85 -66.61 -35.02 79.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -38.04 82.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -52.53 -44.8 65.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -73.93 -50.65 19.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -54.11 -19.97 5.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -24.72 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -38.88 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.723 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -75.02 -40.73 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -40.61 143.89 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.94 139.89 53.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.95 -175.87 43.65 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -115.99 47.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 p -109.63 -27.17 9.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.82 32.66 10.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -134.54 139.62 45.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.274 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.899 ' O ' HG13 ' A' ' 67' ' ' VAL . 88.3 t -86.11 115.05 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.706 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.1 mt -61.57 -12.09 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.2 -56.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mp -43.06 -39.19 2.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -71.6 -44.77 63.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.592 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -47.63 -45.53 27.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.23 76.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -62.2 -52.98 61.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.637 ' HB2' HG12 ' A' ' 26' ' ' VAL . 37.0 t80 -64.05 -43.42 95.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 46' ' ' SER . 82.2 mt -56.35 -48.67 76.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -47.1 -25.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 43' ' ' LEU . 3.1 mtmt -81.44 25.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' LEU . 82.6 p -93.39 -74.02 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.6 -28.01 0.48 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.131 HD12 HG13 ' A' ' 80' ' ' VAL . 12.0 mt -67.91 160.42 74.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.69 12.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -77.03 -37.62 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.28 -63.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.451 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.8 mm -54.66 -36.76 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.2 mt -62.18 -51.53 67.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.66 -44.26 2.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -60.46 -45.9 92.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 14.8 mt -55.35 -52.87 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.528 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 26.7 t-105 -54.85 -55.29 31.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -45.3 -43.19 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.667 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.2 tm? -75.97 -30.52 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -71.26 -67.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TRP . 17.3 t70 -38.98 127.57 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.8 m -144.65 -45.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -48.26 -57.91 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 65' ' ' LYS . . . 103.77 82.53 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER 168.32 -42.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.326 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 145.81 -60.97 0.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.4 t -40.06 148.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.592 HD12 ' CB ' ' A' ' 39' ' ' ALA . 36.3 mt -100.37 -176.47 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -143.55 174.62 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.632 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -49.14 -92.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.546 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.54 -50.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -41.03 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.6 t80 -57.73 -40.76 80.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.75 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.7 m-85 -63.08 -16.7 60.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.3 t -89.43 -63.88 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -46.44 -26.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.487 HD22 HH21 ' A' ' 78' ' ' ARG . 0.3 OUTLIER -61.08 -76.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.487 HH21 HD22 ' A' ' 77' ' ' LEU . 1.1 mmp_? -56.08 -37.75 69.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.77 HD21 ' O ' ' A' ' 89' ' ' VAL . 2.2 tt -45.94 -42.28 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.131 HG13 HD12 ' A' ' 48' ' ' LEU . 39.3 t -61.14 -40.58 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.75 -17.3 34.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.552 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.6 OUTLIER -77.02 -67.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.281 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.604 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -48.58 -24.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.12 -13.13 23.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.4 t30 -115.07 2.45 14.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.93 10.37 75.62 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.07 164.29 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.459 ' N ' ' OG ' ' A' ' 93' ' ' SER . 1.9 tt0 -42.1 164.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.77 ' O ' HD21 ' A' ' 79' ' ' LEU . 15.6 t -108.11 -6.44 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.25 169.31 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.583 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.3 mt -55.12 -19.78 8.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -67.49 -6.5 19.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -94.8 -15.77 23.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 94' ' ' LEU . 9.2 mt -87.66 179.9 6.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.5 p 82.19 2.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.041 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.06 -166.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.08 56.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.552 HG12 ' SG ' ' A' ' 82' ' ' CYS . 23.2 m -52.2 146.13 16.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.776 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.06 174.07 13.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.97 143.51 29.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.557 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.98 -164.11 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 1.3 ttt-85 -99.62 -30.7 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 26.6 m-85 -39.32 161.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -66.35 166.64 11.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' SER . 12.2 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -38.95 154.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 70' ' ' LYS . 9.6 mt -40.44 -35.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.484 ' O ' ' CA ' ' A' ' 14' ' ' SER . 8.0 m -55.69 -52.19 64.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -76.08 -32.74 59.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.85 -38.81 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -168.37 60.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.484 ' CA ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 44.05 26.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 71.51 51.81 15.1 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.689 ' CG ' HG12 ' A' ' 18' ' ' VAL . 23.9 t-20 -88.01 116.18 65.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.43 21.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.689 HG12 ' CG ' ' A' ' 16' ' ' ASN . 11.9 p -46.49 -38.97 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.631 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 12.9 m-85 -65.82 -41.22 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -39.84 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -44.95 -50.56 10.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 15.7 m-85 -70.24 -42.43 72.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.793 ' CE1' HG21 ' A' ' 34' ' ' VAL . 7.3 t80 -54.11 -29.25 44.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 -26.83 29.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -34.35 75.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -81.74 -35.66 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.1 tt0 -48.4 143.64 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.342 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -113.29 165.29 12.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.88 -168.66 1.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -120.54 47.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.8 p -99.98 -34.66 10.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.74 30.01 7.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -134.56 145.37 48.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.901 ' O ' HG13 ' A' ' 67' ' ' VAL . 55.3 t -93.21 112.61 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -59.7 -13.42 9.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 84.86 -54.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -41.74 -41.32 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -73.45 -42.19 62.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.815 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -52.23 -39.4 60.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.711 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -69.62 -30.0 67.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.92 -49.9 47.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 78.8 t80 -62.39 -34.39 76.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -68.87 -46.92 67.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -21.31 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.81 0.69 22.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.7 p -69.58 -72.88 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 159.67 -27.13 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.639 HD12 HG13 ' A' ' 80' ' ' VAL . 12.0 mt -68.9 162.13 66.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 168.27 25.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -75.7 -33.6 60.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.71 -67.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -51.41 -37.75 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.558 HD23 HD12 ' A' ' 56' ' ' ILE . 9.7 mt -62.13 -50.04 73.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.48 -46.89 2.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -58.74 -45.67 89.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.558 HD12 HD23 ' A' ' 53' ' ' LEU . 33.7 mt -56.66 -50.19 75.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.711 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 13.9 t-105 -55.38 -58.93 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -47.26 -39.66 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.598 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.7 tm? -74.77 -31.03 61.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -77.2 -69.05 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 57' ' ' TRP . 13.4 t70 -37.22 128.24 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 m -157.66 -44.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -43.98 -47.76 8.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.0 -63.54 0.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -72.82 140.2 47.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -37.94 -45.08 1.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.901 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.6 t -39.39 148.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.815 HD12 ' CB ' ' A' ' 39' ' ' ALA . 26.9 mt -100.58 170.17 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -127.3 179.27 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.684 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -54.31 -96.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.55 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.07 -50.45 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 3.9 mp0 -41.51 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.666 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 25.6 t80 -59.55 -36.74 76.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.6 m-85 -66.96 -17.0 64.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 76' ' ' ALA . 2.2 t -86.31 -66.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.991 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.88 -27.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.514 HD13 ' HD1' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -61.81 -78.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -53.06 -38.07 62.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.582 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.6 tt -49.11 -44.24 42.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.991 HG23 ' O ' ' A' ' 76' ' ' ALA . 73.0 t -55.6 -38.1 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -64.76 -12.67 49.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 6.9 t -73.75 -73.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -51.27 -25.23 5.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.416 ' N ' HD11 ' A' ' 48' ' ' LEU . 2.2 mm-40 -53.53 -30.35 41.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.462 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 3.7 t30 -108.86 21.16 17.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.09 13.82 73.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 74.8 mt -77.95 161.89 27.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.54 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -43.21 166.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.549 HG12 ' CG1' ' A' ' 56' ' ' ILE . 1.8 t -113.32 -13.23 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.811 ' O ' HD23 ' A' ' 94' ' ' LEU . 60.5 m -94.37 149.74 20.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD23 ' CB ' ' A' ' 94' ' ' LEU . 6.5 mt -63.26 -21.76 66.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.3 m -59.7 -15.26 18.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.54 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -126.02 32.49 5.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.811 HD23 ' O ' ' A' ' 90' ' ' SER . 4.1 mm? -111.96 -178.59 3.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.1 p 79.23 27.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.946 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.69 -160.52 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.57 70.35 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 m -78.02 148.14 74.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.518 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.551 1.816 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.79 32.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.529 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -163.82 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -99.76 -30.85 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 25.7 m-85 -39.0 161.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -67.9 169.33 10.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.569 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -177.85 179.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.911 HD22 ' CG ' ' A' ' 74' ' ' PHE . 15.8 mt -77.65 -39.79 43.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' GLY . 68.1 p -51.11 -64.31 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -57.2 -29.98 64.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -16.68 14.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -149.51 21.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.6 OUTLIER 58.92 16.05 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 104.36 52.16 0.89 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 7.0 t-20 -134.32 109.37 11.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.02 2.53 6.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 p -42.98 -36.76 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.003 ' CE2' HD13 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.7 -42.21 91.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -45.44 -39.37 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -51.66 -64.36 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-30 -56.76 -44.27 81.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -54.13 -32.36 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.6 -25.43 28.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -37.16 83.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' CG2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -78.92 -37.78 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -41.14 138.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -112.48 132.04 55.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.89 -171.2 42.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -121.84 51.44 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.9 p -113.37 -14.41 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.392 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.63 66.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.5 145.84 40.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.826 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.0 t -99.56 115.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.1 mt -62.29 -11.99 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 80.16 -54.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -41.08 -41.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -70.59 -45.41 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.752 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -50.24 -42.25 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.85 -30.88 71.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.81 -49.1 50.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 35.3 t80 -62.57 -37.41 86.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.0 mt -63.1 -43.81 97.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -22.19 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.96 -4.09 30.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.2 p -67.64 -73.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.55 -23.75 0.5 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.753 HD12 HG13 ' A' ' 80' ' ' VAL . 23.4 mt -70.92 161.24 79.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.511 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.97 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -31.39 12.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.83 -63.78 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.506 HG21 ' HB1' ' A' ' 83' ' ' ALA . 3.5 mm -57.21 -35.15 47.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 49' ' ' PRO . 5.4 mt -64.49 -45.0 89.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.85 -46.95 9.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -43.8 98.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.664 HG23 HD13 ' A' ' 79' ' ' LEU . 4.0 mt -57.02 -56.03 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.546 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 21.6 t-105 -55.32 -55.01 36.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -45.72 -42.12 11.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.883 HD11 HD12 ' A' ' 91' ' ' LEU . 1.7 tm? -77.15 -30.42 55.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.14 -61.29 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' ALA . 22.1 t70 -39.18 132.15 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -165.89 -42.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -62.42 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.17 115.35 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 163.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 85.09 -15.57 43.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.826 HG13 ' O ' ' A' ' 34' ' ' VAL . 6.2 t -152.71 150.23 12.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.774 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.752 HD12 ' CB ' ' A' ' 39' ' ' ALA . 49.0 mt -106.05 163.99 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.6 m -118.6 -174.09 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.483 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -59.89 -97.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.532 ' N ' HD21 ' A' ' 9' ' ' LEU . 16.0 mt-30 -37.5 -37.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -55.91 -25.77 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.911 ' CG ' HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -82.0 -2.07 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 91' ' ' LEU . 1.9 t -104.63 -51.92 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.887 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -57.06 -29.35 63.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.003 HD13 ' CE2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -51.57 -71.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.538 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 2.6 mmp_? -60.74 -41.45 95.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.664 HD13 HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -45.87 -40.68 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 76' ' ' ALA . 75.1 t -58.74 -43.99 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.32 -18.31 26.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -67.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.337 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.646 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -52.58 -21.47 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.464 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -69.31 -14.53 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 21.8 t-20 -109.36 -4.84 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.74 10.31 67.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.9 mt -77.85 -179.02 5.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 1.8 tp10 -59.28 163.15 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.511 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 3.1 t -105.57 -10.55 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.491 ' O ' HD23 ' A' ' 94' ' ' LEU . 14.6 m -94.53 140.74 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.883 HD12 HD11 ' A' ' 59' ' ' LEU . 5.7 mt -54.02 -25.24 20.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.6 m -54.31 -19.47 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.503 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.28 29.84 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.2 mm? -108.74 -177.36 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 p 74.59 32.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -113.99 -162.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.12 61.81 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 10.5 m -70.89 148.33 94.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.464 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -74.98 174.07 13.41 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.04 142.99 28.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.556 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.02 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 103' ' ' PHE . 1.4 ttt180 -100.67 -30.87 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 26.6 m-85 -38.85 161.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -65.9 146.12 55.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.547 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.67 145.85 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.733 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.6 mt -41.88 -41.08 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 14' ' ' SER . 8.4 m -52.99 -59.78 4.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -61.58 -30.39 70.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -45.52 -54.95 6.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -149.85 49.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 59.14 12.6 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 93.39 55.06 1.61 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.687 ' CG ' HG12 ' A' ' 18' ' ' VAL . 32.3 t-20 -106.8 118.32 54.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.59 8.72 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.687 HG12 ' CG ' ' A' ' 16' ' ' ASN . 9.3 p -56.1 -41.28 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.007 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -67.04 -35.16 79.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.051 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.543 ' OE1' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.53 -35.88 78.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -43.44 20.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 14.1 m-85 -71.13 -45.17 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.832 ' CE2' HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -54.33 -32.44 56.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -27.79 51.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.29 -34.74 78.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.69 HG23 HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.68 -10.57 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.78 140.38 58.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.494 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -129.21 156.27 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.91 -177.01 53.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.55 1.156 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -114.78 47.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.8 p -111.35 -30.58 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.57 27.31 15.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -128.6 155.91 44.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.917 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.9 t -86.69 111.14 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.655 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.9 mt -61.73 -12.35 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 81.8 -54.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -40.74 -57.98 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.67 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -58.41 -40.22 81.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -47.31 -51.56 18.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.86 -27.43 65.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -67.92 -50.15 57.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 46.5 t80 -66.14 -30.88 71.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.9 mt -64.59 -47.43 78.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -19.73 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -78.87 6.31 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.559 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 92.7 p -80.35 -78.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.987 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.43 -27.98 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.773 HD12 HG13 ' A' ' 80' ' ' VAL . 17.6 mt -66.54 161.12 62.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -75.02 -165.22 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.562 1.822 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -95.16 -35.41 11.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.642 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.76 -54.13 49.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.642 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.2 mm -61.39 -35.76 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 49' ' ' PRO . 7.8 mt -64.72 -50.12 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.33 -43.26 3.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.587 1.18 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HB2' HG11 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -63.63 -43.04 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.656 HG12 HD22 ' A' ' 79' ' ' LEU . 21.9 mt -57.21 -56.25 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.526 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 18.0 t-105 -55.48 -54.54 42.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 108.038 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -44.1 -46.66 8.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.865 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.06 -29.63 60.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -69.25 -67.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ALA . 1.1 t70 -37.85 126.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 m -160.17 -43.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -61.73 -39.05 90.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.91 173.0 18.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.89 -79.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 169.09 -44.09 0.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 34' ' ' VAL . 28.2 t -40.31 147.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.444 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 42.3 mt -100.99 174.11 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -129.62 -152.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.733 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -76.7 -89.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.62 -50.72 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.41 -67.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.704 ' CE1' HD12 ' A' ' 77' ' ' LEU . 2.0 t80 -58.67 -44.8 90.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.682 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -63.23 -10.98 17.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.6 t -94.61 -57.38 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.684 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -52.85 -29.62 29.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.007 HD13 ' CZ ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -65.55 -71.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.597 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -50.83 -41.47 57.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.656 HD22 HG12 ' A' ' 56' ' ' ILE . 2.2 tt -45.86 -44.76 14.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.773 HG13 HD12 ' A' ' 48' ' ' LEU . 83.3 t -52.59 -42.73 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.68 -18.76 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -72.82 -72.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.666 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -51.34 -22.41 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -59.66 -27.05 66.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 11.0 t-20 -99.98 -13.12 19.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.64 11.88 34.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.567 HD12 HG12 ' A' ' 98' ' ' VAL . 89.1 mt -77.85 176.53 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.484 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 4.5 tt0 -55.68 166.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.678 HG11 ' HB2' ' A' ' 55' ' ' LYS . 23.2 t -106.33 -11.79 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.621 ' O ' HD23 ' A' ' 94' ' ' LEU . 7.0 m -94.67 149.86 20.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.703 ' HA ' HD23 ' A' ' 94' ' ' LEU . 5.6 mt -57.1 -24.16 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -52.03 -21.24 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.484 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -121.49 32.49 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.3 mm? -109.2 -177.62 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 p 68.29 38.17 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.472 HD11 ' O ' ' A' ' 93' ' ' SER . 0.9 OUTLIER -117.25 -160.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.61 58.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.567 HG12 HD12 ' A' ' 87' ' ' LEU . 5.3 m -71.66 156.36 91.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.509 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 174.03 13.5 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.04 147.25 33.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.534 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.96 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.9 OUTLIER -99.89 -31.14 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.2 m-85 -39.28 161.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -65.9 174.96 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.571 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' SER . 8.3 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -39.24 155.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 70' ' ' LYS . 11.1 mt -41.13 -37.04 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' SER . 15.6 m -52.87 -51.66 60.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -33.0 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -42.55 31.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.99 57.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 54.92 18.56 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 75.48 37.08 41.99 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.627 ' OD1' HG12 ' A' ' 18' ' ' VAL . 5.7 t-20 -62.42 118.8 44.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.795 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.04 -21.52 15.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.627 HG12 ' OD1' ' A' ' 16' ' ' ASN . 13.4 p -42.39 -46.9 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.66 ' CE1' ' NH2' ' A' ' 78' ' ' ARG . 6.8 m-85 -65.19 -37.12 86.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -57.6 -34.65 69.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -50.79 71.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 37.7 m-85 -68.66 -45.34 72.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.8 t80 -54.13 -26.65 28.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.42 -23.24 24.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -64.84 -39.65 93.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.733 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -71.64 -38.88 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -41.75 129.49 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -117.59 164.65 14.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.72 -177.51 2.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -106.11 39.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.7 HG23 ' H ' ' A' ' 33' ' ' ARG . 2.0 t -90.79 -16.73 27.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.31 1.93 82.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.573 1.171 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.7 ' H ' HG23 ' A' ' 31' ' ' THR . 0.8 OUTLIER -120.35 160.38 23.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 110.314 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.922 ' O ' HG13 ' A' ' 67' ' ' VAL . 85.4 t -81.86 119.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.69 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.5 mt -61.46 -12.22 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.705 ' H ' HG12 ' A' ' 34' ' ' VAL . . . 84.67 -56.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.66 -46.84 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.656 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -65.82 -36.05 82.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.613 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.56 -52.47 47.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.71 -24.65 66.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -69.05 -56.71 6.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.613 ' HB2' HG12 ' A' ' 26' ' ' VAL . 50.1 t80 -66.02 -28.06 68.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.56 -48.9 36.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -54.36 -23.41 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -75.4 -2.75 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 59.1 p -66.11 -71.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 161.24 -26.82 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.072 HD12 HG13 ' A' ' 80' ' ' VAL . 16.1 mt -68.21 161.89 64.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -169.92 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -92.99 -36.2 12.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.497 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -59.82 -53.47 57.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.497 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.2 mt -61.78 -35.83 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.0 mt -64.22 -52.35 59.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.11 -50.15 2.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -46.03 88.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.874 HG23 HD13 ' A' ' 79' ' ' LEU . 5.2 mt -56.49 -53.13 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' ALA . 14.3 t-105 -55.66 -57.09 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.006 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -45.3 -43.51 10.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.067 HD11 HD12 ' A' ' 91' ' ' LEU . 1.9 tm? -74.28 -31.4 62.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -72.05 -68.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' ALA . 21.1 t70 -37.7 127.25 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.79 -44.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -56.71 -47.2 80.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.8 173.55 16.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.8 tttt 72.7 -75.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 165.49 -48.7 0.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.922 HG13 ' O ' ' A' ' 34' ' ' VAL . 41.9 t -39.98 145.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.613 HD12 ' CB ' ' A' ' 39' ' ' ALA . 71.9 mt -101.35 -169.19 1.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -147.61 -163.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' HB3' HD11 ' A' ' 9' ' ' LEU . 27.5 mttt -65.36 -91.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -43.17 -50.37 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.54 -68.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.717 ' CE1' HD12 ' A' ' 77' ' ' LEU . 29.0 t80 -61.71 -35.9 79.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.5 m-85 -70.36 -8.99 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.621 HG11 HD11 ' A' ' 91' ' ' LEU . 2.2 t -93.79 -56.9 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -54.3 -26.44 29.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.819 HD22 ' NH2' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -62.81 -74.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.819 ' NH2' HD22 ' A' ' 77' ' ' LEU . 9.3 mmp_? -50.58 -41.28 54.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.874 HD13 HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -44.71 -41.44 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.072 HG13 HD12 ' A' ' 48' ' ' LEU . 71.9 t -59.88 -41.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.843 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -61.78 -19.11 62.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.54 -72.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -53.68 -24.28 13.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 2.7 mm-40 -55.71 -18.98 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 5.8 t30 -115.39 20.23 14.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.31 12.1 82.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.7 mt -77.65 170.66 16.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.518 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 3.0 tp10 -52.33 169.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 24.7 t -111.06 -15.24 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' HD23 ' A' ' 94' ' ' LEU . 42.5 m -94.89 139.28 31.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.067 HD12 HD11 ' A' ' 59' ' ' LEU . 5.3 mt -51.4 -22.53 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -53.54 -20.23 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.518 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.8 29.41 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' CB ' HD23 ' A' ' 91' ' ' LEU . 3.5 mm? -108.34 -179.78 3.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.0 p 83.31 19.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.036 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.8 -161.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.7 59.13 3.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 4.0 m -64.05 142.43 98.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.843 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.02 174.71 12.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.93 148.3 35.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -165.13 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.442 1.759 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.58 -30.39 12.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.668 ' CE2' HD23 ' A' ' 77' ' ' LEU . 27.2 m-85 -38.93 161.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -65.63 143.21 57.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.592 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 7' ' ' LEU . 5.1 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -39.97 156.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.1 mt -41.46 -40.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' SER . 14.6 p -47.89 -53.48 15.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.436 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -31.94 58.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.44 -42.82 43.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.2 56.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 57.52 16.78 3.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.433 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.3 43.08 39.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.704 ' CG ' HG12 ' A' ' 18' ' ' VAL . 10.5 t-20 -66.03 122.15 79.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.03 -19.57 17.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.704 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.0 p -43.65 -44.93 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.8 m-85 -65.87 -35.21 80.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -60.14 -34.07 73.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -58.28 -44.0 88.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -74.56 -47.23 33.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.5 t80 -53.75 -23.33 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.36 -22.51 18.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.31 -37.59 86.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.604 HG23 ' CG2' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.04 -24.34 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.93 138.7 57.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.2 165.9 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.29 -175.41 2.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -116.02 33.47 5.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.3 p -83.57 -36.46 23.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.13 21.74 10.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.11 149.03 52.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 0.727 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.938 ' O ' HG13 ' A' ' 67' ' ' VAL . 4.6 p -101.5 110.15 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.715 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -56.6 -15.95 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.42 -47.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' ALA . 8.2 mp -38.27 -50.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.549 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -65.47 -45.24 84.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -46.65 -49.98 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -58.52 -31.12 67.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.02 -52.44 24.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.502 ' HB2' HG12 ' A' ' 26' ' ' VAL . 47.8 t80 -55.35 -46.63 76.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.2 mt -49.16 -48.67 44.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 46' ' ' SER . 2.9 mttp -50.44 -21.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.0 mttm -80.94 19.02 0.91 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 82.9 p -93.24 -75.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 168.03 -30.59 0.17 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.887 HD12 HG13 ' A' ' 80' ' ' VAL . 16.2 mt -67.17 161.71 61.16 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -168.48 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -93.08 -37.6 12.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.529 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.44 -51.38 70.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.529 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 mt -64.41 -35.04 73.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.3 mt -63.17 -55.01 28.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.69 -46.4 2.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -58.87 -45.34 90.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.524 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 8.9 mt -56.97 -56.53 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.66 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 15.8 t-105 -52.95 -53.95 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -24.91 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.886 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.5 tm? -94.49 -27.52 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -78.39 -60.45 2.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 60' ' ' ALA . 4.8 t70 -38.51 128.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -143.47 -45.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -51.87 -43.52 63.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.21 -66.53 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -41.58 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.6 -46.58 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.938 HG13 ' O ' ' A' ' 34' ' ' VAL . 46.2 t -40.89 146.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.629 ' HB2' HG11 ' A' ' 34' ' ' VAL . 26.9 mt -101.04 175.47 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.4 m -133.36 -166.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.759 ' HB3' HD11 ' A' ' 9' ' ' LEU . 16.6 mttt -64.71 -91.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.14 -51.05 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -40.12 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 40.6 t80 -60.63 -32.93 72.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.9 m-85 -72.75 -8.22 54.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 76' ' ' ALA . 1.8 t -94.78 -63.47 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.491 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -49.72 -27.02 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -57.86 -75.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -56.64 -37.37 70.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.551 ' CD1' HD12 ' A' ' 59' ' ' LEU . 2.1 tt -46.05 -43.92 14.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.887 HG13 HD12 ' A' ' 48' ' ' LEU . 4.6 t -58.09 -44.65 87.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.656 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -57.98 -23.06 52.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -70.29 -63.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.64 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -56.24 -19.72 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -5.66 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.481 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 53.2 t30 -107.88 -15.78 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.02 3.06 36.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mt -78.89 173.77 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -50.47 169.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.524 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 25.5 t -107.19 -0.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -94.67 165.36 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.886 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.4 mt -57.27 -18.98 19.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -7.18 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.172 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -95.5 -21.46 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.626 HD12 ' CD2' ' A' ' 91' ' ' LEU . 9.0 mt -77.42 -179.19 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 p 72.45 11.3 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 93' ' ' SER . 2.1 mt -114.05 -162.39 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.36 55.48 2.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 p -56.51 132.39 77.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.656 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 175.08 11.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -74.97 140.99 26.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.56 1.821 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.555 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.06 -164.29 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.83 -30.26 12.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 30.2 m-85 -38.46 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -67.03 142.99 57.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.241 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.18 147.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 70' ' ' LYS . 2.7 mt -47.45 -35.31 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 14' ' ' SER . 20.4 m -58.28 -47.43 83.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -32.95 58.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -47.84 -43.72 28.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.43 56.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 57.66 16.44 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.98 51.18 5.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.638 ' CG ' HG12 ' A' ' 18' ' ' VAL . 39.3 t-20 -83.57 120.53 75.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -74.99 -14.85 21.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.793 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.638 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.2 p -43.38 -36.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.657 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 5.8 m-85 -67.0 -42.17 85.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -48.69 -36.74 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -65.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 11.7 m-85 -56.61 -45.32 81.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 3.3 t80 -54.76 -28.74 50.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -86.41 -22.4 26.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -31.3 71.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.616 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -88.27 -30.9 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -48.96 144.21 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.245 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.579 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -141.15 168.15 20.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.44 171.88 1.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -92.35 22.32 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.735 HG23 ' H ' ' A' ' 33' ' ' ARG . 1.7 t -74.14 -30.12 62.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.28 7.48 82.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.735 ' H ' HG23 ' A' ' 31' ' ' THR . 3.2 mtt180 -123.97 171.5 9.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.91 ' O ' HG13 ' A' ' 67' ' ' VAL . 71.4 t -85.23 118.71 32.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.654 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.0 mt -63.01 -10.96 15.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.69 ' H ' HG12 ' A' ' 34' ' ' VAL . . . 80.6 -55.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -44.5 -50.36 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.593 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -66.81 -37.15 83.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -50.52 -46.9 57.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -64.47 -29.33 70.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -63.49 -60.42 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 52.5 t80 -66.26 -49.82 65.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.8 mt -49.38 -45.96 46.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -53.8 -23.06 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.519 ' HD3' ' CG ' ' A' ' 104' ' ' HIS . 23.1 mttm -76.59 -1.34 27.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.804 ' HB2' HG11 ' A' ' 80' ' ' VAL . 92.0 p -60.08 -70.12 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.59 -23.52 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.905 HD12 HG13 ' A' ' 80' ' ' VAL . 44.1 mt -73.29 159.72 84.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.682 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.03 -168.35 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.63 -36.0 19.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.761 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.41 -67.52 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.417 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 8.8 mm -52.32 -37.24 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 49' ' ' PRO . 12.0 mt -60.62 -51.88 67.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.93 -44.58 2.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -44.59 95.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.703 HG23 HD13 ' A' ' 79' ' ' LEU . 29.9 mt -53.71 -55.32 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 5.9 t-105 -55.08 -56.81 15.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.2 -40.5 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.692 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.9 tm? -75.98 -32.1 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.25 -61.65 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.1 t70 -38.97 126.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -174.26 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.97 -63.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.04 -130.94 5.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.35 -49.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . -110.04 12.04 31.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.445 1.091 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 34' ' ' VAL . 41.5 t -142.23 145.83 23.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 39' ' ' ALA . 35.4 mt -101.55 -167.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.66 174.71 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.82 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -46.77 -90.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -38.44 -53.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.76 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 48.4 t80 -53.35 -33.47 53.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.0 m-85 -67.12 -20.73 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 76' ' ' ALA . 1.7 t -84.72 -65.64 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.47 -28.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.953 HD23 ' CZ ' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -62.46 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.503 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -53.11 -22.34 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.873 ' HA ' HD11 ' A' ' 94' ' ' LEU . 1.2 tt -60.54 -40.24 90.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.905 HG13 HD12 ' A' ' 48' ' ' LEU . 56.0 t -56.12 -43.06 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.892 ' HB2' ' HG3' ' A' ' 101' ' ' PRO . . . -56.53 -18.26 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.0 t -72.41 -68.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -58.49 -23.37 57.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -53.45 -28.58 31.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.65 -18.62 17.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.41 11.09 20.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.82 179.47 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.404 ' HB3' ' CB ' ' A' ' 93' ' ' SER . 3.7 tt0 -57.82 170.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.519 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 3.2 t -116.04 -3.75 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.736 ' O ' HD23 ' A' ' 94' ' ' LEU . 47.9 m -94.48 151.58 19.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.692 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.5 mt -59.44 -21.33 59.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -61.63 -13.77 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.025 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.435 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -128.3 32.31 4.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.873 HD11 ' HA ' ' A' ' 79' ' ' LEU . 4.2 mm? -110.19 -177.83 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 p 65.92 37.45 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.962 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 93' ' ' SER . 6.1 mt -106.73 -156.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.4 58.75 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.0 m -75.86 157.19 84.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.33 12.96 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.81 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.88 3.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.892 ' HG3' ' HB2' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 150.99 38.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.615 ' O ' ' CD2' ' A' ' 103' ' ' PHE . 3.6 mmt180 -99.3 167.62 10.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.953 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 51.1 m-85 -168.79 179.29 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.519 ' CG ' ' HD3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -82.06 169.33 16.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.617 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 p -45.93 169.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.052 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.787 HD22 ' CG ' ' A' ' 74' ' ' PHE . 26.0 mt -45.6 -34.86 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 14' ' ' SER . 1.0 OUTLIER -47.81 -53.66 14.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -31.7 58.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.3 tm? -49.3 -42.86 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.2 56.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 58.09 16.3 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.49 34.1 57.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.738 ' CG ' HG12 ' A' ' 18' ' ' VAL . 9.3 t-20 -52.92 113.62 4.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.02 -19.06 18.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.738 HG12 ' CG ' ' A' ' 16' ' ' ASN . 7.4 p -47.64 -48.66 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.69 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -67.09 -34.55 77.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -57.08 -43.4 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -45.47 -45.03 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 96.9 m-85 -69.13 -45.53 69.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.645 ' CE2' HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -54.53 -32.93 59.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' NH2' ' O ' ' A' ' 29' ' ' GLY . 1.7 tpm_? -71.59 -33.74 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -61.77 -33.78 74.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.605 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -87.71 -40.14 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.3 tt0 -60.61 141.12 57.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -106.33 160.52 15.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' O ' ' NH2' ' A' ' 24' ' ' ARG . . . 54.62 171.56 0.06 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.12 32.14 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 0.808 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.2 p -86.45 -32.65 20.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.48 29.71 8.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -124.48 130.8 53.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 67' ' ' VAL . 41.3 t -81.82 114.28 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -60.72 -11.98 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.741 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 79.62 -54.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.6 -51.13 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -66.7 -37.39 84.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.566 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.19 -48.11 62.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -26.69 68.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -72.54 -48.18 42.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.605 ' HB2' HG12 ' A' ' 26' ' ' VAL . 14.2 t80 -64.57 -42.1 95.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 46' ' ' SER . 72.8 mt -50.85 -47.35 60.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' A' ' 46' ' ' SER . 2.6 mtmt -51.44 -21.5 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -80.36 13.25 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . 60.6 p -89.46 -72.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.47 -32.84 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.863 HD12 HG13 ' A' ' 80' ' ' VAL . 8.1 mt -68.69 161.17 73.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.86 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.0 -171.63 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -89.91 -24.29 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.823 HD12 HG12 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -58.44 -79.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.823 HG12 HD12 ' A' ' 51' ' ' LEU . 2.5 mm -47.85 -35.74 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.86 HD12 ' O ' ' A' ' 49' ' ' PRO . 7.3 mt -59.5 -49.93 75.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.88 -38.54 5.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -65.25 -41.76 93.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 0.727 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.714 HG12 HD22 ' A' ' 79' ' ' LEU . 28.0 mt -57.23 -55.76 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.741 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 18.2 t-105 -55.01 -53.95 49.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 108.021 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -44.93 -42.94 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.962 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.8 tm? -78.58 -29.31 46.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.521 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -69.96 -66.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 32.3 t70 -37.8 128.04 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -156.05 -44.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -45.66 92.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.97 69.13 1.42 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.655 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -164.55 30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . 44.96 27.09 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 34' ' ' VAL . 80.7 t -136.84 143.2 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.566 HD12 ' CB ' ' A' ' 39' ' ' ALA . 22.8 mt -98.86 174.12 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.3 170.68 14.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -46.49 -87.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.07 -57.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.55 -73.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.598 ' CE1' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -49.53 -36.28 22.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.787 ' CG ' HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -71.63 -19.39 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -82.38 -56.55 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.504 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -50.8 -48.31 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 42' ' ' PHE . 2.6 mt -47.13 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' NE ' ' OH ' ' A' ' 19' ' ' TYR . 1.5 mmp_? -55.43 -31.41 61.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.714 HD22 HG12 ' A' ' 56' ' ' ILE . 2.8 tt -56.1 -42.18 76.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.863 HG13 HD12 ' A' ' 48' ' ' LEU . 86.3 t -56.26 -38.95 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.35 -15.32 57.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.9 -72.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.02 -25.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.69 -22.5 46.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -100.86 -25.26 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.72 8.43 15.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 mt -77.63 160.61 28.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.68 161.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.706 HG21 HG23 ' A' ' 52' ' ' ILE . 38.7 t -99.57 1.71 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -94.39 165.13 12.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.962 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.7 mt -56.91 -18.89 14.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.46 -8.64 27.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 58.9 p -98.66 -15.24 19.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 91' ' ' LEU . 10.0 mt -86.82 179.56 6.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.7 p 75.5 4.03 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -109.9 -167.03 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.62 71.84 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.6 m -73.11 151.63 90.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.701 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.01 174.24 13.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.1 Cg_endo -75.03 144.96 30.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.558 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.98 -163.69 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.74 -30.89 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 28.4 m-85 -39.11 161.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -68.88 172.12 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.577 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 7' ' ' LEU . 6.3 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 p -83.4 -178.39 7.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.645 ' CD2' ' CG ' ' A' ' 74' ' ' PHE . 3.9 mt -53.98 -34.63 60.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 14' ' ' SER . 10.2 m -48.53 -48.36 38.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -34.06 59.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.546 HD23 ' OE1' ' A' ' 71' ' ' GLN . 3.2 tm? -46.49 -44.33 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.22 57.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 58.42 15.71 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 75.43 32.17 55.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.665 ' CG ' HG12 ' A' ' 18' ' ' VAL . 7.1 t-20 -50.23 118.42 9.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.759 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -75.04 -23.8 13.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.665 HG12 ' CG ' ' A' ' 16' ' ' ASN . 12.3 p -41.83 -50.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CZ ' ' NH1' ' A' ' 78' ' ' ARG . 4.5 m-85 -65.32 -34.42 78.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -55.23 -35.18 64.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -43.66 84.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -74.69 -47.18 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 t80 -54.59 -22.01 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -23.17 19.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.48 -38.53 87.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.56 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -76.03 -42.5 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.07 143.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.433 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -112.92 132.4 55.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 -169.91 44.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.03 46.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 p -105.35 -20.02 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.407 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.57 4.51 85.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -101.71 130.5 48.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.763 ' O ' HG13 ' A' ' 67' ' ' VAL . 92.6 t -84.61 106.93 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.7 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.2 mt -55.83 -17.16 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.36 -51.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ALA . 2.3 mp -40.06 -49.8 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.611 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -67.25 -42.04 84.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.518 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -46.54 -51.78 14.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -59.8 -30.19 68.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -66.22 -52.85 43.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.447 ' HB2' HG12 ' A' ' 26' ' ' VAL . 34.9 t80 -64.98 -37.52 87.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 40' ' ' ALA . 54.2 mt -55.91 -49.66 72.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.455 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -48.25 -23.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -81.48 23.75 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.509 ' HB2' HG11 ' A' ' 80' ' ' VAL . 84.8 p -92.78 -77.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 161.08 -28.47 0.3 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.061 HD12 HG13 ' A' ' 80' ' ' VAL . 12.9 mt -67.31 161.65 62.41 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.431 0.724 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.54 -35.93 63.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.8 -62.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.96 HG23 HG21 ' A' ' 89' ' ' VAL . 5.7 mm -56.68 -35.79 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.684 HD23 HD12 ' A' ' 56' ' ' ILE . 11.5 mt -62.1 -51.52 67.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.48 -37.94 3.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -41.03 91.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.692 HG12 HD22 ' A' ' 79' ' ' LEU . 36.7 mt -56.89 -56.46 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.676 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 16.3 t-105 -55.61 -55.96 25.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -47.91 -31.49 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.69 HD11 HD12 ' A' ' 91' ' ' LEU . 2.3 tm? -86.93 -29.35 22.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -75.7 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' TRP . 33.5 t70 -37.41 125.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -153.02 -44.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -61.55 -44.15 97.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.8 177.37 22.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt 74.69 -62.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 153.03 -50.14 0.51 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 34' ' ' VAL . 19.2 t -39.47 150.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.518 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 82.8 mt -101.83 163.27 12.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -109.31 -161.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -68.81 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.546 ' OE1' HD23 ' A' ' 12' ' ' LEU . 2.6 mm-40 -45.43 -34.07 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.01 -71.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 8.1 t80 -57.44 -48.61 78.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.645 ' CG ' ' CD2' ' A' ' 9' ' ' LEU . 1.7 m-85 -54.44 -25.94 27.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -75.48 -58.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.516 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -46.37 -27.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.714 HD23 ' CE2' ' A' ' 103' ' ' PHE . 1.9 mt -63.38 -77.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.646 ' NH1' ' CZ ' ' A' ' 19' ' ' TYR . 7.3 mmp_? -49.67 -38.41 32.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.789 HD21 ' O ' ' A' ' 89' ' ' VAL . 0.8 OUTLIER -46.37 -50.81 16.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.061 HG13 HD12 ' A' ' 48' ' ' LEU . 10.3 t -61.76 -45.64 98.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.611 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -56.11 -27.02 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.463 ' CA ' HG23 ' A' ' 98' ' ' VAL . 3.4 t -74.69 -63.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 108.302 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.84 -18.46 44.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 1.9 mm-40 -60.39 -13.86 15.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.3 t-20 -99.88 -10.56 21.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.7 4.24 49.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.81 174.31 11.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.485 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -43.83 166.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.96 HG21 HG23 ' A' ' 52' ' ' ILE . 34.3 t -115.02 -10.17 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.773 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -94.67 154.58 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.69 HD12 HD11 ' A' ' 59' ' ' LEU . 8.1 mt -65.76 -24.81 67.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -56.41 -17.63 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.485 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -124.22 30.44 6.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 90' ' ' SER . 3.4 mm? -102.18 -175.74 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 p 73.05 34.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -116.87 -159.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.96 55.68 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.463 HG23 ' CA ' ' A' ' 82' ' ' CYS . 1.4 p -57.95 118.77 28.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.611 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -74.93 139.2 24.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.575 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.05 -164.39 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.85 -30.25 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.714 ' CE2' HD23 ' A' ' 77' ' ' LEU . 30.2 m-85 -38.6 161.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -70.42 174.0 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.57 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 11' ' ' GLN . 4.9 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.56 151.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.1 mt -40.31 -36.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 14' ' ' SER . 24.9 m -54.99 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.21 -34.58 72.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -44.5 -42.58 7.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.416 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -165.15 61.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 41.96 28.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.82 48.82 39.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.597 ' CG ' HG12 ' A' ' 18' ' ' VAL . 18.3 t-20 -85.14 115.59 61.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.19 9.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.597 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.2 p -58.86 -39.78 78.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.627 ' CE2' HD13 ' A' ' 77' ' ' LEU . 14.2 m-85 -66.18 -33.38 75.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -33.76 58.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -37.84 86.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' OH ' ' CB ' ' A' ' 105' ' ' ASP . 22.2 m-85 -78.61 -47.5 17.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 1.2 t80 -54.24 -24.3 18.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.57 -22.29 18.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.73 -37.06 82.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -81.52 -26.03 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.0 143.29 8.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -120.44 145.51 47.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.01 -174.8 55.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.44 41.91 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.0 p -104.77 -26.08 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.89 31.79 19.76 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 mtt85 -125.67 137.66 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.829 ' O ' HG13 ' A' ' 67' ' ' VAL . 69.5 t -81.9 103.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.718 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.1 mt -53.39 -17.74 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 86.49 -54.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mp -42.6 -54.34 4.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.647 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 1.5 m-20 -58.27 -42.97 87.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.592 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -47.47 -52.19 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.13 49.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -71.0 -55.35 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.513 ' HB2' HG12 ' A' ' 26' ' ' VAL . 51.2 t80 -58.72 -34.44 71.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.66 -45.45 71.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -53.09 -19.49 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -75.65 -1.04 22.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 45.0 p -67.95 -56.58 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.98 -33.43 2.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 6.2 mp -63.79 165.23 13.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.9 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.0 -25.66 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -60.33 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.475 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.5 mm -54.97 -35.97 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.61 HD23 HD12 ' A' ' 56' ' ' ILE . 7.9 mt -63.77 -47.93 79.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.93 -43.11 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -42.4 98.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.984 HG12 HD22 ' A' ' 79' ' ' LEU . 15.2 mt -57.39 -58.0 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.643 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 33.5 t-105 -56.3 -53.58 55.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -43.45 -50.05 7.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.049 HD12 HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -74.86 -27.46 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -63.04 -58.86 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ALA . 36.4 t70 -38.63 126.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -152.14 -45.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.45 -51.94 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.85 66.74 0.84 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.44 -60.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' VAL . . . 157.93 -64.26 0.3 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 34' ' ' VAL . 42.5 t -40.29 146.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.592 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 23.3 mt -100.75 169.22 9.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 m -125.91 -174.73 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.845 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.8 mtmm -55.11 -88.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -42.78 -50.99 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.43 -72.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.4 t80 -56.91 -43.44 81.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.7 m-85 -59.96 -17.04 35.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -88.89 -54.46 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.679 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -46.95 -28.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.627 HD13 ' CE2' ' A' ' 19' ' ' TYR . 2.5 mt -60.91 -77.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.725 HH21 ' CG ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -49.94 -38.15 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.049 HD11 HD12 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -46.36 -48.48 18.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 76' ' ' ALA . 86.8 t -61.59 -40.88 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.65 -19.41 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -69.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.92 -22.59 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.454 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.0 mm-40 -54.64 -29.28 51.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -100.89 -17.43 16.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.56 10.34 10.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.1 mt -77.4 153.96 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -44.09 167.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.522 ' O ' HD21 ' A' ' 79' ' ' LEU . 4.1 t -110.28 -5.9 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.643 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.2 m -95.0 155.81 16.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.668 HD12 HD21 ' A' ' 59' ' ' LEU . 5.1 mt -62.57 -21.71 65.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.6 m -57.74 -16.54 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.449 ' CB ' ' HB3' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -122.33 28.27 7.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.92 -175.33 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 3.7 p 77.95 21.7 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.7 -164.31 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.5 63.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' A' ' 78' ' ' ARG . 3.1 m -47.6 147.36 3.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.612 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 176.28 10.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.4 Cg_endo -74.99 128.44 11.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.725 ' CG ' HH21 ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.11 -30.38 12.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.6 m-85 -42.03 167.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.46 172.81 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.427 ' CB ' ' OH ' ' A' ' 22' ' ' TYR . 1.1 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.527 ' HB2' HG22 ' A' ' 10' ' ' THR . 9.2 m -39.09 156.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.843 HD11 ' HB3' ' A' ' 70' ' ' LYS . 4.1 mt -43.88 -41.42 5.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.527 HG22 ' HB2' ' A' ' 8' ' ' SER . 0.5 OUTLIER -56.43 -40.6 75.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' SER . 2.5 mt-30 -77.0 -37.82 54.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -45.15 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.45 58.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 55.57 21.28 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.488 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 70.06 51.34 23.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.757 ' CG ' HG12 ' A' ' 18' ' ' VAL . 37.7 t-20 -75.82 126.63 86.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.25 9.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.757 HG12 ' CG ' ' A' ' 16' ' ' ASN . 9.1 p -59.96 -46.05 94.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.0 m-30 -66.63 -33.63 76.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -35.43 68.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.568 ' HG2' ' CD2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -58.17 -44.0 87.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 97.9 m-85 -74.88 -50.45 16.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -50.39 -23.56 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -25.37 19.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.2 mt-30 -61.68 -39.9 93.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -76.52 -41.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.19 140.91 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.71 143.9 49.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.53 -171.08 47.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -122.22 49.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -107.55 -28.92 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.97 27.81 17.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -129.12 143.34 50.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 0.8 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.964 ' O ' HG13 ' A' ' 67' ' ' VAL . 59.9 t -86.38 115.85 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.609 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.1 mt -64.9 -10.55 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.82 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 77.96 -55.22 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -41.6 -42.72 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -74.54 -40.68 61.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.71 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.21 -43.97 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.481 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -69.43 -28.25 65.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -68.47 -46.61 69.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.553 ' HB2' HG12 ' A' ' 26' ' ' VAL . 77.8 t80 -64.77 -34.9 79.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 40' ' ' ALA . 72.1 mt -59.09 -48.17 82.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' A' ' 46' ' ' SER . 3.2 mmmt -51.02 -21.27 1.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -80.45 15.17 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' LEU . 49.0 p -93.53 -67.14 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 149.84 -34.61 1.03 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.797 HD12 HG13 ' A' ' 80' ' ' VAL . 5.0 mt -58.75 162.54 6.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.447 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -85.66 -36.48 20.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.517 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.26 -51.14 71.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.532 HG21 HD22 ' A' ' 48' ' ' LEU . 2.7 mm -63.0 -35.81 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ILE . 2.9 mt -64.98 -52.46 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.1 -48.31 2.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -58.25 -47.33 83.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.762 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.499 HG23 HD13 ' A' ' 79' ' ' LEU . 60.3 mt -53.74 -54.88 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.82 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 23.4 t-105 -55.31 -57.88 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -46.57 -38.77 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.703 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.5 tm? -76.66 -32.12 57.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -67.24 -55.76 12.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -37.62 130.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -172.81 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.366 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.61 -66.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.28 128.33 1.83 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.4 151.25 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.501 ' C ' HG23 ' A' ' 67' ' ' VAL . . . 88.9 -7.46 82.05 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.964 HG13 ' O ' ' A' ' 34' ' ' VAL . 65.6 t -156.52 143.85 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.71 HD12 ' CB ' ' A' ' 39' ' ' ALA . 26.0 mt -99.62 177.5 5.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.3 m -134.08 -167.95 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.843 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -62.77 -95.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.583 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.38 -47.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 60' ' ' ALA . 1.1 mt-10 -40.43 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.7 t80 -58.43 -42.77 88.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.632 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.2 m-85 -63.98 -11.28 27.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.1 t -95.18 -58.41 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.882 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -49.8 -24.59 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD23 ' CE2' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -61.9 -71.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.492 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.1 mmp_? -59.49 -34.94 73.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.703 ' CD1' HD12 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -52.63 -38.51 60.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 76' ' ' ALA . 54.8 t -61.3 -38.4 79.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -10.86 48.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.6 t -74.71 -66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.29 -19.2 44.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.458 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.4 mm-40 -62.4 -27.79 69.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 37.8 t30 -99.87 -12.42 19.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.79 8.46 42.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.598 HD13 HG12 ' A' ' 98' ' ' VAL . 9.1 mt -77.92 172.67 13.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.747 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.508 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -49.36 170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.503 ' O ' HD21 ' A' ' 79' ' ' LEU . 3.4 t -112.02 -15.38 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.669 ' O ' HD23 ' A' ' 94' ' ' LEU . 5.8 m -94.7 150.85 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.731 ' HA ' HD23 ' A' ' 94' ' ' LEU . 5.4 mt -57.59 -23.15 49.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m -52.12 -20.71 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.508 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -124.4 35.66 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.4 mm? -111.3 -178.94 3.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p 74.56 34.21 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.16 -162.46 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.77 74.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.598 HG12 HD13 ' A' ' 87' ' ' LEU . 19.9 m -84.39 156.82 62.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.4 Cg_endo -75.0 174.26 13.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.98 144.73 30.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.53 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.98 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.64 -31.05 11.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.3 m-85 -39.41 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -74.6 172.11 12.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.591 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 11' ' ' GLN . 5.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 p -45.41 166.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 70' ' ' LYS . 5.4 mt -46.42 -40.05 11.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' SER . 71.1 p -47.36 -55.66 8.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.8 -32.29 59.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -48.88 -42.9 38.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.4 57.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 57.27 16.88 3.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.67 36.2 53.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.678 ' CG ' HG12 ' A' ' 18' ' ' VAL . 7.7 t-20 -58.12 110.43 2.55 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.98 -19.04 18.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.678 HG12 ' CG ' ' A' ' 16' ' ' ASN . 5.6 p -44.07 -41.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.677 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -67.21 -39.07 86.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -50.47 -37.74 40.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.517 ' HG3' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -51.55 -40.08 59.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 19' ' ' TYR . 12.4 m-85 -74.56 -43.53 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -54.59 -34.27 61.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.63 -26.33 41.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -37.9 89.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.695 ' CG2' HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -78.14 -30.47 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -47.23 129.61 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.46 167.43 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 173.91 23.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -95.93 32.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.763 HG23 ' H ' ' A' ' 33' ' ' ARG . 1.8 t -95.18 -32.89 12.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.24 7.15 80.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.763 ' H ' HG23 ' A' ' 31' ' ' THR . 5.9 mtt-85 -113.7 171.87 7.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.938 ' O ' HG13 ' A' ' 67' ' ' VAL . 5.7 t -89.43 110.14 21.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.697 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.6 mt -62.15 -11.64 15.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 83.8 -55.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -44.87 -42.11 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -72.31 -36.16 68.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.675 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -52.44 -53.52 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -62.36 -25.61 68.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -71.29 -45.93 61.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.632 ' HB2' HG12 ' A' ' 26' ' ' VAL . 20.2 t80 -71.08 -28.21 64.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' SER . 71.0 mt -70.17 -46.0 65.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.55 -21.24 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -73.82 -2.67 24.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.735 ' HB2' HG11 ' A' ' 80' ' ' VAL . 97.1 p -68.76 -75.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.05 -24.13 0.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.717 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 9.1 mt -62.6 164.63 11.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.753 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -166.48 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.06 -35.81 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.502 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.05 -52.86 63.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.603 HG21 ' HB1' ' A' ' 83' ' ' ALA . 1.6 mt -66.12 -33.29 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 56' ' ' ILE . 5.3 mt -65.24 -46.64 79.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.93 -41.66 28.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HB2' HG11 ' A' ' 89' ' ' VAL . 11.0 mttm -61.6 -42.59 99.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.552 HG23 HD13 ' A' ' 79' ' ' LEU . 53.4 mt -57.03 -58.49 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.66 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 31.5 t-105 -55.18 -50.69 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -42.4 -49.34 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.976 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -78.76 -26.98 44.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -61.67 -58.18 9.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ALA . 10.1 t0 -38.42 127.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -161.63 -42.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -53.99 18.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.58 64.68 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt 173.05 -41.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 139.31 -54.6 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.938 HG13 ' O ' ' A' ' 34' ' ' VAL . 39.7 t -43.73 146.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.675 HD12 ' CB ' ' A' ' 39' ' ' ALA . 27.2 mt -99.94 168.71 9.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -121.29 -160.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.961 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HB3' HD11 ' A' ' 9' ' ' LEU . 12.4 mttp -73.74 -81.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -48.06 -52.86 18.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -40.05 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.668 ' CE1' HD12 ' A' ' 77' ' ' LEU . 2.2 t80 -54.11 -35.82 62.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.677 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 1.3 m-85 -73.48 -11.66 60.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.652 HG11 HD11 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -90.72 -59.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.487 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -51.05 -41.35 59.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.668 HD12 ' CE1' ' A' ' 73' ' ' PHE . 3.0 mt -52.86 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.474 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.6 OUTLIER -51.63 -35.5 42.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.552 HD13 HG23 ' A' ' 56' ' ' ILE . 1.2 tt -51.26 -44.4 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.735 HG11 ' HB2' ' A' ' 46' ' ' SER . 53.1 t -50.41 -49.63 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.645 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -54.94 -21.18 10.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.7 t -71.73 -73.37 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 108.261 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.717 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -52.41 -22.23 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -61.12 -23.93 65.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -112.69 19.39 17.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.34 15.11 77.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.863 HD13 HG12 ' A' ' 98' ' ' VAL . 25.5 mt -77.97 168.54 19.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.506 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -50.26 168.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 55' ' ' LYS . 3.4 t -112.9 -13.69 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.687 ' O ' HD23 ' A' ' 94' ' ' LEU . 49.1 m -94.73 149.83 20.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.657 ' HA ' HD23 ' A' ' 94' ' ' LEU . 6.2 mt -59.37 -24.6 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.8 t -51.98 -23.1 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.622 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -118.72 32.17 6.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.048 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.27 -179.1 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.4 p 73.37 31.33 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.622 HD11 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -112.33 -164.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.76 57.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.863 HG12 HD13 ' A' ' 87' ' ' LEU . 20.2 m -68.07 157.48 86.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.645 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 174.05 13.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.01 145.52 31.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.502 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.02 -163.01 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.72 -30.96 11.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.2 m-85 -39.42 161.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.8 140.56 58.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -57.56 160.3 4.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 70' ' ' LYS . 7.0 mt -41.37 -38.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' GLY . 4.8 m -47.77 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.09 -31.49 67.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' HA ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -59.93 -15.0 18.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.576 ' OG ' ' CE1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -148.52 24.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 51.98 20.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 96.08 51.94 1.69 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.496 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 6.0 t-20 -129.2 102.36 18.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.99 -13.02 21.56 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -42.76 -29.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.627 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.6 m-85 -66.72 -45.93 77.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -49.94 -32.4 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -59.03 -45.79 89.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.42 -46.99 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.2 t80 -54.05 -23.61 14.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.14 -22.36 19.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.27 -36.44 82.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.708 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -75.8 -33.7 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -38.45 148.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -123.73 129.01 50.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.48 -171.29 54.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -105.61 38.55 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.822 HG23 ' H ' ' A' ' 33' ' ' ARG . 5.3 t -91.11 -22.25 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.31 -0.95 83.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.822 ' H ' HG23 ' A' ' 31' ' ' THR . 6.4 mtt180 -108.37 142.94 37.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.918 ' O ' HG13 ' A' ' 67' ' ' VAL . 95.3 t -82.79 115.57 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.708 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -61.26 -12.53 13.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 84.96 -56.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -41.74 -44.2 3.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -69.04 -42.86 75.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.541 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -49.69 -43.91 47.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.57 68.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.72 -49.35 47.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.467 ' HB2' HG12 ' A' ' 26' ' ' VAL . 70.8 t80 -63.84 -39.54 94.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' SER . 64.5 mt -55.95 -47.95 76.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.459 ' C ' ' H ' ' A' ' 46' ' ' SER . 8.6 mmtt -46.76 -24.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 43' ' ' LEU . 14.4 mttm -81.17 25.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 44' ' ' LYS . 56.5 p -96.25 -71.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 148.96 -23.55 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.028 HD12 HG13 ' A' ' 80' ' ' VAL . 13.6 mt -72.74 160.8 81.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.78 12.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.784 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -75.36 -33.49 61.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.61 -62.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.473 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.7 mm -55.6 -36.86 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.0 mt -61.37 -52.97 62.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.02 -44.47 2.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' HB2' HG11 ' A' ' 89' ' ' VAL . 8.1 mttt -60.61 -47.13 87.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.862 HG12 HD22 ' A' ' 79' ' ' LEU . 14.9 mt -52.92 -56.16 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' ALA . 21.6 t-105 -55.49 -56.49 19.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 107.966 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.51 -46.14 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.94 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.7 tm? -72.77 -31.57 64.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -68.87 -67.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' ALA . 19.9 t70 -38.23 126.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.4 m -160.15 -44.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -48.87 -49.37 39.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.77 -56.03 0.71 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 142.25 33.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -40.16 -46.53 3.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.918 HG13 ' O ' ' A' ' 34' ' ' VAL . 36.2 t -40.15 146.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.541 HD12 ' CB ' ' A' ' 39' ' ' ALA . 29.7 mt -100.38 -179.2 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.86 162.05 35.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.644 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -41.39 -86.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.505 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -42.36 -53.33 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -40.02 -72.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.5 t80 -51.54 -43.29 62.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.627 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -57.53 -33.33 67.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 t -71.65 -53.08 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.06 20.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.29 -72.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.65 HH21 ' CG ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -53.8 -41.91 67.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.862 HD22 HG12 ' A' ' 56' ' ' ILE . 1.1 tt -42.54 -43.47 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.028 HG13 HD12 ' A' ' 48' ' ' LEU . 41.7 t -59.85 -50.74 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.63 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.45 -21.56 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -67.28 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.96 50.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.55 ' HG2' HD11 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -69.1 -7.34 35.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 5.6 t30 -112.93 -31.04 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.47 2.2 7.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.19 145.52 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.92 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.473 ' O ' HD21 ' A' ' 79' ' ' LEU . 12.0 t -94.78 -2.7 10.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.514 ' O ' HD23 ' A' ' 94' ' ' LEU . 3.2 m -94.53 160.26 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.94 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.5 mt -55.4 -21.97 17.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.63 -22.09 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.453 ' C ' HD22 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -116.02 29.52 7.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.61 ' CB ' HD23 ' A' ' 91' ' ' LEU . 4.6 mm? -117.15 177.51 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER 78.58 10.97 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.937 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -166.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.73 57.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.475 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 8.6 m -40.4 151.1 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.63 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.97 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.3 Cg_endo -74.96 129.13 12.08 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.416 1.746 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.65 ' CG ' HH21 ' A' ' 78' ' ' ARG . 18.5 Cg_endo -74.98 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.04 -30.1 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 34.5 m-85 -38.61 161.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 105' ' ' ASP . 79.3 t60 -69.96 170.9 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.492 HD12 ' HG3' ' A' ' 11' ' ' GLN . 6.2 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -108.78 -167.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.657 ' CD2' ' CD1' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -37.69 -32.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.1 m -46.71 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.492 ' HG3' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -57.02 -30.09 63.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.945 HD21 HG23 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -58.43 -15.74 12.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.504 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -148.06 25.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.81 18.14 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 92.86 49.37 2.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.614 ' CG ' HG12 ' A' ' 18' ' ' VAL . 7.6 t-20 -110.67 100.66 46.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.1 Cg_endo -75.04 -16.98 19.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.614 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.2 p -42.67 -37.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.827 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -65.43 -44.16 88.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -45.5 -34.9 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -44.29 95.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 22.6 m-85 -75.27 -41.85 56.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 13.3 t80 -54.01 -34.1 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -80.26 -27.72 38.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.06 77.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.522 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -84.19 -41.29 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -38.83 115.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.9 113.35 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.59 -166.15 1.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -92.64 34.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -62.27 -43.22 99.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.63 0.8 30.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.81 141.66 46.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.734 ' O ' HG13 ' A' ' 67' ' ' VAL . 11.2 t -83.65 105.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -57.69 -15.65 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.759 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 85.98 -51.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' ALA . 4.1 mm? -38.5 -47.07 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -71.7 -44.7 63.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -46.28 -48.47 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -62.08 -32.42 72.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -65.84 -54.13 30.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.522 ' HB2' HG12 ' A' ' 26' ' ' VAL . 4.8 t80 -59.1 -46.07 89.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 40' ' ' ALA . 33.8 mt -48.23 -48.64 34.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -48.3 -22.9 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -81.12 26.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.686 ' HB2' HG11 ' A' ' 80' ' ' VAL . 60.0 p -97.07 -73.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 158.97 -34.81 0.49 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.952 HD12 HG13 ' A' ' 80' ' ' VAL . 7.8 mt -57.96 163.49 4.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.449 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.96 -168.87 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.39 -37.62 11.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.553 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.9 -53.09 61.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.553 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.8 mm -63.68 -34.59 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 49' ' ' PRO . 4.5 mt -64.87 -50.04 68.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.5 -42.94 4.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.65 ' HB2' HG11 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -65.78 -41.06 92.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.771 HG13 HG13 ' A' ' 89' ' ' VAL . 2.8 mt -57.37 -56.25 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.759 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 43.6 t-105 -55.74 -54.72 40.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -43.81 -47.56 8.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.527 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.3 tm? -64.97 -35.82 82.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.77 -61.29 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' ALA . 43.0 t0 -36.61 126.05 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -161.16 -43.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -48.72 -56.95 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.75 65.28 0.67 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 pttt 179.77 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 132.42 -56.87 0.73 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 34' ' ' VAL . 18.3 t -39.36 152.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.452 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 23.7 mt -99.31 164.91 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -108.11 -148.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.495 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.0 mttt -88.04 -97.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' CD ' ' O ' ' A' ' 7' ' ' LEU . 51.0 mt-30 -45.27 -29.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.05 -71.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 2.6 t80 -48.93 -45.66 41.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CD1' ' CD2' ' A' ' 9' ' ' LEU . 2.0 m-85 -63.6 -24.19 67.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.945 HG23 HD21 ' A' ' 12' ' ' LEU . 1.2 t -74.87 -57.49 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.578 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -49.41 -46.79 47.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.827 HD13 ' CZ ' ' A' ' 19' ' ' TYR . 2.8 mt -49.37 -70.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.489 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -51.98 -34.96 44.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.621 HD22 HG12 ' A' ' 56' ' ' ILE . 2.2 tt -52.83 -41.23 64.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.952 HG13 HD12 ' A' ' 48' ' ' LEU . 77.5 t -53.43 -48.8 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -54.89 -20.13 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.4 t -73.56 -74.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -52.81 -21.83 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -59.45 -27.26 65.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.2 t30 -108.28 16.59 23.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.55 17.0 79.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.57 ' CD1' HG12 ' A' ' 98' ' ' VAL . 96.6 mt -78.47 174.15 11.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 0.796 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.544 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -57.45 166.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.771 HG13 HG13 ' A' ' 56' ' ' ILE . 21.7 t -108.48 -15.18 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.679 ' O ' HD23 ' A' ' 94' ' ' LEU . 66.2 m -94.83 150.05 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.673 ' HA ' HD23 ' A' ' 94' ' ' LEU . 6.0 mt -60.0 -24.92 64.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 m -51.55 -21.49 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.544 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -120.24 33.41 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 90' ' ' SER . 4.5 mm? -113.67 -179.97 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.3 p 78.18 25.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.431 HD11 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -109.04 -162.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.79 65.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.57 HG12 ' CD1' ' A' ' 87' ' ' LEU . 10.0 m -74.51 156.89 86.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.701 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 174.17 13.24 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.02 145.74 31.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.576 1.829 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.99 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.782 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -101.7 -30.96 11.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 27.2 m-85 -38.92 161.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -66.09 167.21 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.49 HD13 ' HG3' ' A' ' 11' ' ' GLN . 2.5 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 m -63.14 176.16 0.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.961 HD22 ' CG ' ' A' ' 74' ' ' PHE . 21.4 mt -54.45 -35.81 63.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLY . 6.0 m -47.12 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.49 ' HG3' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.45 -32.14 66.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -59.98 -14.88 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.51 30.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 45.5 25.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.016 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 91.53 57.18 1.57 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.52 ' CG ' HG12 ' A' ' 18' ' ' VAL . 8.2 t-20 -130.91 95.18 26.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -74.98 -8.38 20.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.52 HG12 ' CG ' ' A' ' 16' ' ' ASN . 7.7 p -41.42 -35.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.663 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -65.99 -45.86 80.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 111.024 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -43.54 -38.3 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.66 -42.69 68.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 14.0 m-85 -73.35 -41.79 63.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.652 ' CE2' ' CG2' ' A' ' 34' ' ' VAL . 1.1 t80 -53.96 -38.99 65.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -33.28 71.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -61.74 -40.54 95.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 HG13 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -83.64 -19.72 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.7 tt0 -62.4 141.03 58.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.983 ' CB ' HD12 ' A' ' 35' ' ' LEU . . . -119.97 164.92 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.9 -169.13 46.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.67 27.26 7.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 33' ' ' ARG . 4.3 t -98.83 -25.9 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.82 12.41 40.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HB2' ' CG2' ' A' ' 31' ' ' THR . 8.1 mtp180 -99.68 147.47 25.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 0.762 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.932 ' O ' HG13 ' A' ' 67' ' ' VAL . 3.1 t -88.15 116.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.983 HD12 ' CB ' ' A' ' 28' ' ' ALA . 1.7 mt -61.12 -11.95 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 75.79 -56.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.82 -51.24 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.586 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -60.73 -35.33 76.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -57.17 -50.4 72.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.537 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -57.94 -23.57 54.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -76.05 -53.84 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 6.1 t80 -59.93 -36.73 77.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 40' ' ' ALA . 57.6 mt -55.47 -47.07 76.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -51.19 -20.83 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.2 mttm -80.22 13.7 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LEU . 57.8 p -89.27 -71.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 152.36 -26.17 0.87 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.998 HD12 HG13 ' A' ' 80' ' ' VAL . 10.4 mt -68.17 162.51 59.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.414 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.01 -171.67 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.52 -37.84 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.542 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -58.97 -51.8 68.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.542 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 2.3 mm -63.75 -35.46 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.3 mt -63.19 -54.14 42.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.12 -42.37 2.33 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.454 1.097 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.715 ' HB2' HG11 ' A' ' 89' ' ' VAL . 1.9 mmtt -60.12 -46.3 90.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.484 HG13 ' CG1' ' A' ' 89' ' ' VAL . 24.0 mt -53.54 -57.29 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.574 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 11.8 t-105 -55.11 -55.47 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.08 -30.51 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.818 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.4 tm? -87.94 -28.89 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -76.08 -62.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' ALA . 2.0 t70 -38.32 126.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -163.1 -42.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -49.47 -53.28 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.37 65.13 0.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 178.36 173.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . -91.53 29.36 7.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 34' ' ' VAL . 57.4 t -133.33 144.06 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.418 HD21 ' CZ2' ' A' ' 57' ' ' TRP . 21.9 mt -99.46 171.78 7.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -115.86 -152.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.704 ' C ' HD21 ' A' ' 9' ' ' LEU . 12.3 mttt -87.23 -80.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' N ' HD21 ' A' ' 9' ' ' LEU . 45.3 mt-30 -51.26 -27.7 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -75.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 8.2 t80 -50.56 -26.1 4.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.961 ' CG ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -76.45 -28.58 56.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.68 -54.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.34 -52.73 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.566 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 3.3 mt -46.68 -67.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.466 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.8 OUTLIER -52.68 -29.53 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.818 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.1 tt -58.1 -42.41 85.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.998 HG13 HD12 ' A' ' 48' ' ' LEU . 71.6 t -53.75 -41.07 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.9 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -58.13 -23.56 55.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.49 -63.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.574 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -51.93 -21.92 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -69.04 -17.14 63.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.6 t30 -100.85 -15.09 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.56 6.16 53.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.72 166.86 22.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.62 165.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 55' ' ' LYS . 33.4 t -99.89 -5.54 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.472 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.6 m -94.59 152.39 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.633 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.9 mt -59.88 -22.33 62.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -17.44 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.627 ' O ' HD11 ' A' ' 96' ' ' LEU . 82.8 p -106.76 -15.03 14.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.581 ' HB2' HD23 ' A' ' 91' ' ' LEU . 2.2 mm? -73.63 -178.91 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.9 t 86.42 20.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.627 HD11 ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -118.15 -164.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.39 58.24 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 m -53.82 143.13 41.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.9 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.0 174.51 12.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -74.95 145.31 31.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.574 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.03 -164.69 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.67 -30.22 12.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 30.3 m-85 -38.73 161.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -66.21 173.81 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.581 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 104' ' ' HIS . 1.3 t0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.653 HD23 ' N ' ' A' ' 7' ' ' LEU . 2.0 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -32.05 146.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.806 HD22 ' CG ' ' A' ' 74' ' ' PHE . 4.9 mt -35.44 -40.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.1 m -47.48 -61.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.5 -31.4 63.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.72 -44.21 48.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.51 57.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 58.1 16.39 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 71.43 41.07 59.12 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.521 ' CG ' HG12 ' A' ' 18' ' ' VAL . 4.2 t-20 -62.87 124.58 84.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.784 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.97 -23.01 14.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.521 HG12 ' CG ' ' A' ' 16' ' ' ASN . 2.6 p -40.35 -49.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 29.0 m-85 -66.27 -36.67 83.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -52.73 -39.36 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -62.81 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -58.11 -47.58 82.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.661 ' CZ ' HG23 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -54.14 -26.63 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -31.87 59.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -33.36 74.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.721 HG23 HG13 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -88.14 -13.29 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -77.93 121.76 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.401 ' HB2' HD12 ' A' ' 35' ' ' LEU . . . -58.21 99.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.31 -165.34 31.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -92.56 34.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.7 p -64.67 -48.78 73.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.76 -10.31 14.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -119.09 132.93 56.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.839 ' O ' HG13 ' A' ' 67' ' ' VAL . 51.7 t -82.21 114.21 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.707 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -56.95 -16.13 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.742 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 84.54 -52.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.55 -53.7 5.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.713 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -59.64 -34.69 73.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -49.51 -57.0 7.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.688 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -56.89 -25.83 57.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -68.43 -56.42 8.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.507 ' O ' ' CG ' ' A' ' 45' ' ' LYS . 2.1 t80 -63.15 -40.68 98.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 40' ' ' ALA . 41.8 mt -48.11 -46.14 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -25.04 2.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 4.0 mmmt -62.52 -14.09 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.427 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 97.3 p -69.74 -76.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.67 -17.73 1.45 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.994 HD12 HG13 ' A' ' 80' ' ' VAL . 12.1 mt -68.9 162.98 60.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.97 23.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.9 -33.55 45.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.55 -65.45 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -52.86 -37.24 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 6.3 mt -62.36 -50.78 70.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.51 -44.32 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -47.11 87.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.667 ' CG1' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -56.47 -53.89 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.658 ' HZ3' ' HB2' ' A' ' 40' ' ' ALA . 1.7 t90 -55.3 -55.6 29.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -39.51 29.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.997 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -76.42 -27.41 56.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -79.22 -69.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' TRP . 2.7 t70 -39.83 146.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -164.86 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.367 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.55 -50.97 71.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.59 -174.84 15.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tttt 71.56 -61.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 157.35 -54.53 0.39 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.839 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.2 t -39.21 149.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 87.6 mt -100.18 174.31 6.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -168.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' C ' HD21 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -71.77 -82.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 3.2 pt20 -53.84 -34.2 58.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 3.3 mt-10 -46.87 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 2.0 t80 -52.69 -46.1 67.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.806 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.5 m-85 -57.92 -27.9 63.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.0 t -77.6 -59.76 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.77 -27.41 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.541 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 1.2 mt -65.88 -75.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -51.11 -28.64 11.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.76 HD11 HD12 ' A' ' 59' ' ' LEU . 1.1 tt -55.37 -46.72 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.994 HG13 HD12 ' A' ' 48' ' ' LEU . 8.6 t -52.49 -40.91 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -58.98 -16.96 20.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -80.16 -65.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.06 -23.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.68 -26.31 68.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 17.6 t-20 -100.84 10.64 40.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.14 14.15 80.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.9 mt -77.75 159.67 28.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' OG ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -42.04 164.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 56' ' ' ILE . 16.8 t -105.52 2.1 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -94.12 164.29 13.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.856 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.8 mt -59.69 -22.46 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 t -68.07 -6.08 20.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.475 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -97.55 -11.3 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 94' ' ' LEU . 10.3 mt -92.12 178.44 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.3 p 79.3 10.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -112.84 -168.17 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.6 61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 m -67.22 154.67 92.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.73 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.04 174.54 12.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -75.02 147.69 34.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.491 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.01 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -99.46 -30.82 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.541 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.6 m-85 -39.03 161.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.81 166.14 11.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' HB2' ' NE2' ' A' ' 71' ' ' GLN . 62.4 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.49 178.75 9.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.5 mt -75.79 -34.33 60.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.8 m -56.36 -64.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -30.22 65.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.708 HD11 ' O ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -51.89 -21.41 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -149.27 44.37 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.49 28.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 88.71 58.16 1.75 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.132 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 13' ' ' SER . 8.3 t-20 -134.23 104.6 11.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -1.05 10.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.558 1.82 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.2 p -48.87 -27.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.638 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.1 m-85 -66.97 -38.83 86.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -40.14 69.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -53.57 -44.76 69.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -74.78 -43.61 53.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.8 ' CE1' HG21 ' A' ' 34' ' ' VAL . 28.6 t80 -54.33 -26.51 30.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -90.37 -22.81 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.78 98.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.643 HG23 HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -75.6 -45.18 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.622 ' HB2' HG22 ' A' ' 34' ' ' VAL . 18.8 tt0 -43.21 114.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' O ' ' OG1' ' A' ' 31' ' ' THR . . . -54.45 154.51 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 31' ' ' THR . . . -72.13 143.74 35.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER 53.22 72.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 28' ' ' ALA . 17.9 p -154.27 -41.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.353 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.64 -10.34 38.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.47 158.12 45.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.859 ' O ' HG13 ' A' ' 67' ' ' VAL . 46.3 t -83.3 106.67 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -54.21 -17.77 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.83 -48.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.11 -43.7 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -73.43 -37.52 65.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.623 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -55.21 -45.95 75.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -64.25 -29.59 70.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.33 -54.95 10.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.586 ' HB2' HG12 ' A' ' 26' ' ' VAL . 34.3 t80 -56.71 -33.85 66.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.68 -47.29 66.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -51.98 -21.36 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -69.12 -8.12 42.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 89.9 p -65.79 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.17 -24.93 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.44 1.087 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.854 HD11 ' HG2' ' A' ' 84' ' ' GLN . 3.3 mt -65.76 160.59 60.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.44 22.62 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -74.03 -23.12 59.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -60.34 -66.0 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.536 HG21 ' HB1' ' A' ' 83' ' ' ALA . 1.9 mt -55.8 -35.57 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.67 -44.41 90.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.95 -44.5 8.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HB2' HG11 ' A' ' 89' ' ' VAL . 4.7 mmtt -63.49 -42.75 98.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.671 HG12 HD22 ' A' ' 79' ' ' LEU . 11.8 mt -56.58 -56.04 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 18.9 t-105 -55.61 -56.16 23.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 107.994 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -45.15 -44.44 10.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.583 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.1 tm? -74.18 -31.19 62.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -70.36 -67.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' ALA . 15.7 t70 -37.92 128.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m -164.59 -42.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 110.376 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -50.6 -45.61 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.34 -60.55 0.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -79.9 153.79 28.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -51.1 -40.7 44.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.859 HG13 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -44.2 145.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.623 HD12 ' CB ' ' A' ' 39' ' ' ALA . 29.3 mt -99.74 171.08 8.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' CE1' ' A' ' 23' ' ' TYR . 1.7 m -121.08 -148.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.767 ' HB3' HD11 ' A' ' 9' ' ' LEU . 17.1 mttt -83.68 -93.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.13 -50.55 1.39 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.26 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 3.7 t80 -56.84 -47.44 80.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.708 ' O ' HD11 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -56.93 -19.8 19.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.604 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -85.28 -64.45 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.82 -30.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -60.05 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -52.2 -28.32 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.671 HD22 HG12 ' A' ' 56' ' ' ILE . 2.0 tt -57.38 -41.42 80.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 76' ' ' ALA . 48.5 t -57.09 -38.54 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -65.51 -11.65 45.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.96 -69.67 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.536 ' HB1' HG21 ' A' ' 52' ' ' ILE . . . -52.76 -22.37 5.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.854 ' HG2' HD11 ' A' ' 48' ' ' LEU . 2.5 mm-40 -58.17 -28.64 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.459 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.9 t-20 -100.13 -13.84 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.94 14.19 29.69 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.9 mt -78.15 -179.97 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.489 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -59.78 169.59 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 55' ' ' LYS . 20.7 t -111.78 -10.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.744 ' O ' HD23 ' A' ' 94' ' ' LEU . 16.6 m -94.52 151.5 19.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.625 ' HA ' HD23 ' A' ' 94' ' ' LEU . 7.1 mt -60.73 -26.78 67.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.6 m -53.0 -20.79 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.489 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.46 32.98 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -111.11 -175.75 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.9 p 71.19 37.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -118.21 -162.1 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.47 63.16 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.7 m -73.1 154.48 90.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.58 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 174.4 12.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.96 144.93 31.0 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.551 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.06 -164.63 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.68 -30.53 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.9 m-85 -39.03 161.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -66.18 140.12 58.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.628 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 11' ' ' GLN . 8.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.501 ' OG ' ' N ' ' A' ' 9' ' ' LEU . 6.2 t 166.06 -177.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.085 HD13 ' CE1' ' A' ' 74' ' ' PHE . 4.4 mt -50.02 -38.43 37.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.6 m -46.72 -76.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' HB3' ' CD2' ' A' ' 7' ' ' LEU . 3.0 mm-40 -57.0 -33.95 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -60.93 -13.94 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.1 37.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 38.75 29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 86.31 59.3 1.86 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.531 ' CG ' HG12 ' A' ' 18' ' ' VAL . 8.8 t-20 -130.76 104.15 15.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.05 -7.17 18.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.531 HG12 ' CG ' ' A' ' 16' ' ' ASN . 5.2 p -41.1 -51.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.2 m-30 -62.13 -37.85 86.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -50.81 -40.6 55.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.22 -62.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 9.5 m-85 -58.01 -48.14 80.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.705 ' CE2' HG21 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -54.01 -26.21 25.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -30.94 54.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.774 HG23 HG13 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -84.24 -14.7 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.37 144.48 51.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.962 ' CB ' HD12 ' A' ' 35' ' ' LEU . . . -114.49 148.35 37.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.99 -171.09 12.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -116.13 46.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 p -103.35 -21.47 13.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.05 14.28 60.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -111.54 144.23 41.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.799 ' O ' HG13 ' A' ' 67' ' ' VAL . 25.8 t -91.54 119.03 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.962 HD12 ' CB ' ' A' ' 28' ' ' ALA . 1.1 mt -61.75 -12.54 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.641 ' H ' HG12 ' A' ' 34' ' ' VAL . . . 78.9 -55.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mp -44.32 -52.61 7.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.626 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -59.2 -42.95 92.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -50.8 -51.94 45.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.03 -24.52 39.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -77.45 -52.2 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.55 ' HB2' HG12 ' A' ' 26' ' ' VAL . 18.4 t80 -57.76 -41.94 83.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.1 mt -56.28 -48.75 75.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -49.99 -22.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.4 mttm -81.0 19.08 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 59.7 p -93.14 -68.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.408 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.13 -37.27 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.105 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD22 HG21 ' A' ' 52' ' ' ILE . 4.7 mt -58.76 162.61 6.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.58 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.01 -164.82 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -96.4 -34.68 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.38 -54.01 51.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.701 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 mm -63.24 -34.74 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 49' ' ' PRO . 6.1 mt -62.96 -53.52 52.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.43 -42.7 3.51 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.698 ' HB2' HG11 ' A' ' 89' ' ' VAL . 1.5 mmtp -63.81 -43.03 97.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.901 HG12 HD22 ' A' ' 79' ' ' LEU . 1.9 mt -57.13 -55.53 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.492 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 15.6 t-105 -54.88 -55.12 33.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 107.983 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -45.73 -41.22 10.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.894 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.7 tm? -77.86 -30.28 50.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -71.91 -67.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TRP . 19.6 t70 -38.59 128.75 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 m -158.01 -43.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -61.88 -55.12 33.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.39 -106.96 0.19 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -175.76 166.22 3.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.267 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 76.79 -15.28 6.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 34' ' ' VAL . 5.4 t -151.64 150.77 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.561 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 64.3 mt -104.87 160.14 15.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -94.75 -149.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.539 ' C ' HD21 ' A' ' 9' ' ' LEU . 2.0 mttt -93.07 -97.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.89 -27.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -51.0 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -50.48 -43.31 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 1.085 ' CE1' HD13 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -61.43 -33.5 73.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.8 t -68.54 -49.86 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -57.35 -38.38 74.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -51.06 -70.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.495 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -53.16 -35.96 60.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.901 HD22 HG12 ' A' ' 56' ' ' ILE . 3.0 tt -52.02 -39.6 59.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 76' ' ' ALA . 46.7 t -57.51 -41.6 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -62.27 -17.14 57.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.94 -72.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 108.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.03 -22.57 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -58.45 -22.56 55.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -100.74 -18.11 16.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.12 10.06 24.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.88 168.91 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -51.68 162.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.713 HG13 HG13 ' A' ' 56' ' ' ILE . 37.0 t -103.2 0.52 10.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 m -94.32 165.2 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.804 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.4 mt -55.86 -20.18 14.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.2 m -67.33 -7.41 24.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -97.03 -17.23 20.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.476 HD12 HD23 ' A' ' 91' ' ' LEU . 9.4 mt -84.8 -179.57 7.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 p 73.77 8.19 4.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -110.39 -164.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.27 59.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.6 m -61.16 150.71 78.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.751 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.99 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.543 1.812 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.97 143.21 28.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.554 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.96 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 46' ' ' SER . 3.1 tpt180 -99.68 -30.89 11.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.7 m-85 -39.3 161.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -66.3 168.36 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.44 146.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.891 HD11 ' HB2' ' A' ' 70' ' ' LYS . 7.2 mt -44.73 -36.53 3.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 14' ' ' SER . 45.8 p -59.19 -48.5 81.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -73.79 -33.41 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -46.52 19.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.52 56.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 55.4 18.48 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 78.06 52.15 5.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.599 ' CG ' HG12 ' A' ' 18' ' ' VAL . 49.4 t-20 -85.38 121.87 73.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.63 21.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.599 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.0 p -45.56 -40.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.607 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.9 m-85 -66.05 -38.11 87.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -31.56 32.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG3' ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -61.16 -45.65 93.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 15.1 m-85 -72.63 -45.53 58.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 13.3 t80 -54.26 -26.69 30.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -25.97 25.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.95 -38.72 89.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.593 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -73.19 -39.32 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 33' ' ' ARG . 1.8 tt0 -39.37 140.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -133.01 168.54 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.57 -166.88 53.9 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -122.72 34.73 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 p -96.92 -29.37 13.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.09 24.34 27.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HD2' HG11 ' A' ' 67' ' ' VAL . 4.9 mtm-85 -129.49 168.53 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.914 ' O ' HG13 ' A' ' 67' ' ' VAL . 64.7 t -97.36 112.99 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -61.23 -12.39 12.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.756 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 84.98 -54.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -44.25 -38.45 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -74.47 -39.66 62.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.834 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -56.12 -42.79 77.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -69.45 -24.83 63.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -76.51 -48.14 20.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.593 ' HB2' HG12 ' A' ' 26' ' ' VAL . 58.0 t80 -62.25 -27.58 69.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.545 HD22 HG21 ' A' ' 80' ' ' VAL . 76.4 mt -73.86 -47.05 41.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -49.5 -23.01 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 43' ' ' LEU . 4.9 mmtt -62.38 -24.31 67.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.573 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 18.2 p -50.74 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 149.02 -19.12 1.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.715 HD12 HG13 ' A' ' 80' ' ' VAL . 28.9 mt -65.36 161.09 53.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.535 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -36.83 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.535 HD23 ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -58.82 -52.61 64.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.51 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.4 mm -62.88 -35.15 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.4 mt -63.37 -56.73 13.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.57 -42.97 1.5 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -48.93 79.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.006 HG23 HD13 ' A' ' 79' ' ' LEU . 8.8 mt -54.1 -54.39 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.756 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 29.1 t-105 -55.08 -53.94 49.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -44.14 -45.85 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.769 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.7 tm? -76.62 -29.11 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -67.89 -65.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 5.9 t70 -37.67 126.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 m -159.72 -43.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.73 -52.46 40.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.69 -64.58 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -77.32 159.36 29.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.567 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -53.33 -44.73 65.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.914 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.9 t -39.82 148.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.834 HD12 ' CB ' ' A' ' 39' ' ' ALA . 13.7 mt -100.67 -174.67 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -147.06 172.17 14.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.891 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -44.02 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.506 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.69 -51.9 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.65 -73.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 29.5 t80 -57.26 -34.41 68.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.773 ' CD2' HD22 ' A' ' 9' ' ' LEU . 2.3 m-85 -72.92 -5.45 38.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.3 t -101.89 -49.07 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.942 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -57.08 -23.99 50.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 19' ' ' TYR . 3.0 mt -59.1 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.911 ' HB3' HG21 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -50.86 -46.23 60.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.006 HD13 HG23 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -41.63 -44.5 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 76' ' ' ALA . 93.4 t -60.92 -47.81 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 101' ' ' PRO . . . -63.68 -16.35 60.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.779 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -71.14 -63.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.307 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.82 -17.46 49.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.591 ' HG2' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -70.82 -7.64 46.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.5 t-20 -117.68 -6.54 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 103.11 5.51 46.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 88' ' ' GLU . 88.2 mt -77.72 148.63 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' A' ' 93' ' ' SER . 6.5 tt0 -41.75 163.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.512 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 9.1 t -101.46 -6.37 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -94.69 169.47 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.769 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.3 mt -54.52 -21.03 8.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -16.49 20.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.497 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 14.0 p -104.56 -15.94 15.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.722 ' HB2' HD23 ' A' ' 91' ' ' LEU . 13.9 mt -85.08 176.83 8.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.4 p 81.78 2.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -109.41 -168.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.57 59.12 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.911 HG21 ' HB3' ' A' ' 78' ' ' ARG . 10.2 m -40.3 147.71 0.36 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.566 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 174.92 11.95 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.49 12.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.596 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.02 -160.47 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -98.12 -29.54 13.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 14.1 m-85 -39.27 162.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.75 179.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.401 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -155.72 177.33 11.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 70' ' ' LYS . 13.8 mt -69.72 -32.94 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' SER . 5.5 m -50.0 -70.02 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.361 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -30.34 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.91 -48.89 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -148.87 45.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 54.08 15.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 86.2 59.44 1.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.639 ' CG ' HG12 ' A' ' 18' ' ' VAL . 24.2 t-20 -108.88 115.87 56.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.69 8.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.639 HG12 ' CG ' ' A' ' 16' ' ' ASN . 7.3 p -51.97 -50.42 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.605 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.4 m-30 -61.23 -34.83 75.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -36.61 61.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -40.92 94.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 95.6 m-85 -75.18 -45.47 40.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 5.9 t80 -54.21 -28.86 43.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -21.78 22.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.0 81.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -77.58 -34.48 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.4 tt0 -45.46 143.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -119.92 150.23 40.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.28 -172.44 54.46 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.56 48.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -107.29 -28.57 9.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.418 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.79 28.25 16.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.7 140.26 49.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.932 ' O ' HG13 ' A' ' 67' ' ' VAL . 69.9 t -82.89 116.19 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.688 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -60.94 -12.38 11.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 84.45 -56.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -44.33 -44.45 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -64.98 -40.58 95.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.762 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -57.09 -43.05 81.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -21.86 66.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -83.02 -49.51 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 57.4 t80 -62.55 -35.44 79.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.19 -48.07 66.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -49.74 -23.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -62.61 -14.97 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.63 ' CB ' HG11 ' A' ' 80' ' ' VAL . 67.7 p -56.92 -67.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.45 -19.54 1.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.631 HD12 HG13 ' A' ' 80' ' ' VAL . 25.3 mt -68.72 160.79 75.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.79 -29.46 58.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.478 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -60.07 -62.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.668 HG23 HG21 ' A' ' 89' ' ' VAL . 5.6 mm -56.28 -35.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.763 HD23 HD12 ' A' ' 56' ' ' ILE . 7.2 mt -64.03 -47.75 79.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.44 -43.08 4.74 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.518 1.137 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -64.92 -41.55 95.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.763 HD12 HD23 ' A' ' 53' ' ' LEU . 25.8 mt -57.04 -53.6 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.702 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 34.1 t-105 -55.4 -56.77 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -44.3 -51.9 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.654 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.3 tm? -68.64 -28.8 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 57' ' ' TRP . . . -65.08 -61.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.4 t70 -39.75 126.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -171.42 -52.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.05 -48.36 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.71 141.34 4.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 tttm 72.51 173.93 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -72.18 -49.09 22.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 34' ' ' VAL . 42.7 t -40.44 145.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.762 HD12 ' CB ' ' A' ' 39' ' ' ALA . 84.7 mt -101.9 174.43 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.7 m -127.99 -162.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.695 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -67.36 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.471 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.15 -49.06 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.58 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 5.6 t80 -57.64 -30.48 65.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.605 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.3 m-85 -75.48 -5.8 46.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -98.39 -52.21 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -55.94 -23.84 34.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.641 HD23 ' CE2' ' A' ' 103' ' ' PHE . 3.1 mt -61.32 -73.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.511 HH21 ' CD ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -53.58 -42.19 67.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.521 HD13 HG23 ' A' ' 56' ' ' ILE . 1.1 tt -46.83 -50.17 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.631 HG13 HD12 ' A' ' 48' ' ' LEU . 32.5 t -58.18 -40.69 78.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.698 ' HB2' ' HB3' ' A' ' 101' ' ' PRO . . . -69.0 -12.63 61.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.628 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -79.36 -61.22 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.274 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.22 -15.55 57.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -66.69 -17.89 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.443 ' CB ' ' HG3' ' A' ' 99' ' ' PRO . 10.7 t30 -112.41 -16.72 12.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.69 9.5 9.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.618 HD13 ' SG ' ' A' ' 82' ' ' CYS . 9.4 mt -77.43 150.44 35.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -44.82 163.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.668 HG21 HG23 ' A' ' 52' ' ' ILE . 21.2 t -103.95 -8.83 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.718 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.6 m -94.44 151.56 19.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.654 ' HG ' HD11 ' A' ' 59' ' ' LEU . 7.7 mt -64.48 -23.51 67.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.35 -19.99 3.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.42 36.56 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 90' ' ' SER . 4.0 mm? -117.04 -170.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER 83.23 -0.07 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.94 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -161.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.51 59.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.628 HG12 ' SG ' ' A' ' 82' ' ' CYS . 4.4 m -39.95 147.12 0.36 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.585 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.98 175.07 11.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 126.12 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.698 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 -161.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -98.97 -30.11 12.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.641 ' CE2' HD23 ' A' ' 77' ' ' LEU . 17.6 m-85 -38.57 161.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -68.93 172.68 6.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.603 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' SER . 7.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' LEU . 1.2 m -35.33 151.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.996 HD22 ' CD2' ' A' ' 74' ' ' PHE . 1.1 mt -38.87 -43.12 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' CA ' ' A' ' 14' ' ' SER . 12.0 m -51.09 -52.34 44.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' SER . 1.7 mt-30 -73.64 -34.24 64.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -42.92 43.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.3 m -158.88 59.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.496 ' CA ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 39.0 29.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.31 58.5 3.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 39.5 t-20 -106.89 126.86 29.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 1.26 7.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 19' ' ' TYR . 6.4 p -46.77 -49.17 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.624 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 m-30 -66.3 -32.66 74.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -31.02 64.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -42.23 98.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -78.27 -44.34 25.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.831 ' CE1' HG21 ' A' ' 34' ' ' VAL . 29.2 t80 -53.71 -24.97 16.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -97.45 -18.83 18.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -29.6 70.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.665 HG23 HG13 ' A' ' 34' ' ' VAL . 2.4 m -85.5 -47.2 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 4.1 tm-20 -38.49 145.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.64 121.28 44.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.53 -169.57 28.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.35 49.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.1 p -98.57 -41.93 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.97 27.1 6.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.6 128.82 37.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.885 ' O ' HG13 ' A' ' 67' ' ' VAL . 21.1 t -88.82 112.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -61.03 -12.36 11.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.6 -52.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -45.79 -43.46 13.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.742 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -70.15 -33.41 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.638 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -54.53 -53.82 49.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -61.92 -24.84 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -59.92 -59.51 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -64.19 -40.37 95.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 40' ' ' ALA . 78.7 mt -49.3 -48.09 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' A' ' 46' ' ' SER . 9.8 mtmt -46.31 -25.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 43' ' ' LEU . 7.5 mtmt -81.47 26.61 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.471 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 98.7 p -92.67 -81.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 167.01 -29.43 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.83 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 15.9 mt -71.83 160.82 81.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.63 2.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -82.8 -33.68 27.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.761 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.54 -67.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.489 HG21 ' HB1' ' A' ' 83' ' ' ALA . 7.8 mm -51.78 -37.78 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 8.0 mt -61.13 -52.02 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.31 -43.32 2.73 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.582 ' HB2' HG11 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -61.53 -45.59 93.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.511 HG12 HD22 ' A' ' 79' ' ' LEU . 16.6 mt -54.72 -57.53 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.657 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 38.2 t-105 -55.28 -53.76 52.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -45.11 -41.11 7.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.563 HD11 HD12 ' A' ' 91' ' ' LEU . 1.9 tm? -80.67 -29.17 36.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -66.98 -62.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.9 t70 -38.44 128.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -156.79 -44.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -46.16 -46.0 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.37 61.12 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.35 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 146.71 -54.36 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 34' ' ' VAL . 22.4 t -39.63 148.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.638 HD12 ' CB ' ' A' ' 39' ' ' ALA . 20.1 mt -99.51 171.62 7.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -138.25 -176.22 4.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.704 ' CB ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -53.74 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.11 -49.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.37 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 82.8 t80 -54.59 -35.13 63.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.996 ' CD2' HD22 ' A' ' 9' ' ' LEU . 2.9 m-85 -74.5 -3.42 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.5 t -102.97 -56.41 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.921 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -55.77 -25.3 40.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.66 -71.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.521 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.8 mmp_? -58.07 -41.32 83.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.511 HD22 HG12 ' A' ' 56' ' ' ILE . 1.3 tt -45.4 -42.8 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 76' ' ' ALA . 69.2 t -54.59 -48.69 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -58.02 -17.9 20.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 3.8 t -69.39 -65.29 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.83 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -58.23 -19.73 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.469 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -70.99 -7.25 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 50.9 t30 -114.81 -7.54 12.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.37 7.06 59.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.602 HD12 HG12 ' A' ' 98' ' ' VAL . 62.3 mt -77.86 177.5 8.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.0 OUTLIER -56.92 173.49 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 55' ' ' LYS . 5.2 t -114.04 -10.18 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.676 ' O ' HD23 ' A' ' 94' ' ' LEU . 6.3 m -94.32 150.06 20.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 59' ' ' LEU . 7.9 mt -60.06 -25.1 65.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -55.27 -18.86 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.452 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.65 28.47 8.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -108.69 -178.49 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p 76.08 33.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD11 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -117.5 -162.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.55 71.67 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.602 HG12 HD12 ' A' ' 87' ' ' LEU . 31.2 m -79.46 153.27 76.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.439 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.01 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.05 142.37 27.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.572 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.97 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -100.16 -30.76 11.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 27.5 m-85 -38.58 161.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -68.41 176.28 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.69 171.6 18.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 74' ' ' PHE . 88.9 mt -78.62 -33.05 47.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 14' ' ' SER . 4.5 m -55.98 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -33.73 71.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -41.86 -45.32 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.05 59.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER 55.82 18.47 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.75 44.19 32.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.722 ' CG ' HG12 ' A' ' 18' ' ' VAL . 12.8 t-20 -69.82 117.92 58.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.03 16.29 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.722 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.8 p -54.9 -50.83 58.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 5.3 m-30 -64.24 -35.08 79.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -42.31 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.543 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -50.06 -48.68 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 92.8 m-85 -69.22 -49.72 53.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 3.0 t80 -53.4 -22.97 8.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.24 -24.91 24.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -61.81 -38.82 89.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.73 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -73.32 -43.56 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 2.8 tm-20 -38.92 142.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.53 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -108.12 139.72 42.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.51 -168.58 52.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -114.31 44.09 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.02 -40.27 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.42 -17.28 23.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD2' HG21 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -85.52 139.53 31.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.665 HG13 HG23 ' A' ' 26' ' ' VAL . 68.8 t -89.68 111.03 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -55.06 -11.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.743 ' HB1' ' CH2' ' A' ' 57' ' ' TRP . . . 80.63 -54.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.04 -53.03 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.679 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -59.5 -40.98 88.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -46.02 -55.41 6.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.05 -29.43 57.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -67.79 -52.55 35.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.73 ' HB2' HG12 ' A' ' 26' ' ' VAL . 34.1 t80 -62.38 -32.42 73.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.6 mt -70.92 -47.27 60.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.43 -21.21 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -79.94 11.43 3.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.491 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 56.3 p -86.15 -60.74 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.3 -38.31 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 5.9 mp -62.73 164.01 13.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -98.41 -27.94 13.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -59.79 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.467 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.7 mm -55.15 -35.81 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.562 HD23 HD12 ' A' ' 56' ' ' ILE . 7.4 mt -63.38 -48.19 78.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.41 -44.61 5.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -60.66 -44.55 96.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.958 HG23 HD13 ' A' ' 79' ' ' LEU . 17.8 mt -57.11 -53.16 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.743 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 5.8 t-105 -55.12 -57.33 12.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.77 -30.75 6.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 79' ' ' LEU . 1.8 tm? -83.25 -31.67 26.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -78.43 -65.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' TRP . 15.1 t70 -39.18 130.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -162.14 -43.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -40.9 -47.6 2.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.87 -61.82 0.65 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 155.11 18.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.1 -43.22 88.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 34' ' ' VAL . 2.2 t -51.49 165.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.556 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 90.3 mt -99.73 163.01 12.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.471 ' HB2' ' CG ' ' A' ' 72' ' ' GLU . 1.4 m -96.8 -145.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.451 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -98.36 -97.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.58 -31.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 69' ' ' SER . 68.9 mm-40 -46.28 -76.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -49.82 -43.03 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.1 m-85 -57.71 -26.93 62.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.626 HG12 ' N ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -78.66 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -42.86 -30.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -59.81 -73.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.5 mmp_? -59.48 -21.01 59.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.958 HD13 HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -62.17 -43.13 99.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 76' ' ' ALA . 94.6 t -60.78 -37.28 75.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.7 -19.63 51.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 87' ' ' LEU . 4.2 t -77.38 -72.92 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.252 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.82 -25.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.445 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.5 mm-40 -52.25 -33.72 42.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.6 t30 -102.52 24.8 9.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.58 16.86 70.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 72.1 mt -77.68 165.67 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.516 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 3.5 tp10 -50.24 162.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.622 HG12 HG12 ' A' ' 56' ' ' ILE . 2.7 t -107.51 -11.59 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.636 ' O ' HD23 ' A' ' 94' ' ' LEU . 9.5 m -94.52 142.99 26.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.631 ' HA ' HD23 ' A' ' 94' ' ' LEU . 5.0 mt -56.8 -26.12 57.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -19.97 5.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.516 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -121.45 33.45 5.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 90' ' ' SER . 4.3 mm? -112.73 -178.13 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.2 p 78.45 27.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.45 -162.36 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.42 59.81 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 14.6 m -63.94 140.39 97.85 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.675 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.97 174.35 12.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.6 30.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 17.9 Cg_endo -75.06 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -100.08 -31.04 11.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.1 m-85 -40.32 163.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -7.32 34.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 45.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -148.99 179.22 8.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 70' ' ' LYS . 11.6 mt -77.6 -35.33 52.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 14' ' ' SER . 4.2 m -51.22 -52.39 44.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -71.02 -33.46 70.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -47.33 -40.47 17.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -164.8 61.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 40.68 28.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 72.17 55.98 6.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.533 ' CG ' HG12 ' A' ' 18' ' ' VAL . 36.3 t-20 -97.87 117.05 65.62 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.83 20.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.533 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.2 p -46.31 -36.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.1 m-85 -66.55 -40.04 88.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -40.55 34.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.28 -64.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 14.8 m-85 -57.62 -43.98 85.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 33.7 t80 -54.24 -30.32 49.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -24.52 28.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -63.05 -40.12 96.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.606 HG23 HG23 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -75.19 -42.21 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' VAL . 2.4 tt0 -38.69 132.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.79 149.2 24.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.3 -178.95 4.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -109.18 43.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.8 p -93.78 -32.08 14.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.85 24.02 10.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -135.17 143.3 46.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.903 ' O ' HG13 ' A' ' 67' ' ' VAL . 1.6 p -95.51 115.59 34.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.734 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -60.07 -12.87 9.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 89.25 -56.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -40.33 -38.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -73.46 -48.35 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.842 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -48.75 -41.64 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.638 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -66.96 -30.64 70.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -66.18 -56.31 12.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' HB2' HG12 ' A' ' 26' ' ' VAL . 80.8 t80 -56.91 -33.66 67.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 40' ' ' ALA . 41.2 mt -64.24 -47.7 78.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -20.31 6.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -76.21 -1.91 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 60.6 p -69.71 -70.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.58 -25.79 0.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.766 HD12 HG13 ' A' ' 80' ' ' VAL . 9.8 mt -67.02 162.61 52.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.13 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -94.67 -31.92 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.26 -60.2 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.471 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.6 mt -58.23 -35.32 52.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 56' ' ' ILE . 9.4 mt -63.11 -51.27 67.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.68 -46.61 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -60.47 -43.72 96.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 53' ' ' LEU . 14.8 mt -57.11 -53.82 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.638 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 28.4 t-105 -55.16 -56.29 21.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 108.044 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.97 -44.58 15.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.635 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.5 tm? -73.83 -29.23 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -68.19 -62.82 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' ALA . 29.6 t0 -39.14 123.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.4 m -157.3 -44.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -46.61 -46.27 19.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.79 43.3 0.81 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.25 169.25 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -64.57 -60.61 6.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.903 HG13 ' O ' ' A' ' 34' ' ' VAL . 36.2 t -39.33 146.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.842 HD12 ' CB ' ' A' ' 39' ' ' ALA . 77.8 mt -102.12 169.42 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 m -123.99 -160.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.616 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -70.08 -93.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' VAL . 2.1 mt-30 -38.2 -47.7 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -43.4 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CE1' HD12 ' A' ' 77' ' ' LEU . 9.8 t80 -59.49 -39.62 84.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.4 m-85 -64.69 -15.42 61.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.5 t -89.97 -63.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.977 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -48.28 -26.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.547 HD12 ' CE1' ' A' ' 73' ' ' PHE . 1.1 mt -62.78 -75.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -55.01 -41.61 71.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.615 HD21 ' O ' ' A' ' 89' ' ' VAL . 2.9 tt -43.94 -40.68 4.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 76' ' ' ALA . 84.2 t -60.45 -44.31 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.644 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -62.88 -15.94 56.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.519 ' HA ' HG23 ' A' ' 98' ' ' VAL . 1.8 t -75.88 -69.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.314 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.9 -20.15 14.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.446 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.2 -15.26 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.472 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 2.4 t30 -107.8 13.67 26.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.83 7.05 86.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 85' ' ' ASN . 4.3 mt -77.8 177.99 7.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 93' ' ' SER . 5.9 tt0 -53.03 161.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.615 ' O ' HD21 ' A' ' 79' ' ' LEU . 7.3 t -105.48 2.14 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.2 m -94.61 160.55 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.512 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.0 mt -60.78 -21.56 63.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.36 -47.25 72.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.579 ' HA ' HD12 ' A' ' 96' ' ' LEU . 50.1 p -74.24 -22.57 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.613 HD22 HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -63.06 -37.14 86.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.0 p -57.63 -19.87 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 93' ' ' SER . 7.6 mt -74.33 -167.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.42 56.78 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.613 HG11 HD22 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -42.64 132.8 2.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.644 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.09 174.76 12.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -75.0 141.66 26.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.541 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.05 -164.45 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -100.08 -30.08 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 27.5 m-85 -38.52 161.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.61 174.06 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -40.12 159.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.639 HD22 ' CG ' ' A' ' 74' ' ' PHE . 14.1 mt -39.86 -34.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.5 m -47.92 -71.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -32.95 70.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.4 tm? -45.58 -42.43 11.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -167.59 61.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 46.67 25.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.0 51.96 26.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.507 ' CG ' HG12 ' A' ' 18' ' ' VAL . 9.0 t-20 -83.95 114.0 51.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.02 9.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.507 HG12 ' CG ' ' A' ' 16' ' ' ASN . 13.0 p -57.79 -39.8 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 8.1 m-85 -66.29 -32.35 73.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -32.43 57.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.566 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 1.6 ttpt -62.41 -37.94 87.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 9.1 m-30 -75.06 -54.74 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 2.6 t80 -53.39 -20.84 4.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -25.97 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -62.28 -35.25 78.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.583 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -87.44 -29.47 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.549 ' HA ' HG23 ' A' ' 34' ' ' VAL . 2.5 tt0 -55.01 144.43 23.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -114.12 160.7 18.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.49 -175.04 1.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -118.76 48.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.1 p -101.41 -37.28 8.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.65 12.81 20.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -118.16 138.7 52.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.978 ' O ' HG13 ' A' ' 67' ' ' VAL . 5.0 p -101.48 120.51 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.668 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.9 mt -63.36 -12.61 31.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 81.3 -51.92 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ALA . 2.5 mm? -38.8 -39.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -71.34 -49.01 46.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -46.22 -43.22 15.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.39 84.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -65.43 -45.45 83.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.583 ' HB2' HG12 ' A' ' 26' ' ' VAL . 11.0 t80 -62.94 -38.37 90.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.548 HD22 HG21 ' A' ' 80' ' ' VAL . 77.3 mt -59.82 -46.47 89.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -53.93 -21.58 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -76.12 -1.78 27.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 90.9 p -72.57 -74.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 164.84 -29.79 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 83' ' ' ALA . 13.3 mt -72.85 161.87 77.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.911 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.01 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.35 -24.8 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.815 HD12 HG12 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -58.54 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.815 HG12 HD12 ' A' ' 51' ' ' LEU . 2.7 mm -47.8 -35.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.911 HD12 ' O ' ' A' ' 49' ' ' PRO . 5.4 mt -61.4 -46.84 88.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -46.32 -39.84 10.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -63.85 -41.87 97.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.286 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.77 HG12 HD22 ' A' ' 79' ' ' LEU . 55.2 mt -57.1 -56.98 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.614 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 8.9 t-105 -54.37 -54.37 41.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.5 -29.43 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.635 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.9 tm? -88.79 -29.52 19.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -74.97 -62.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' ALA . 2.0 t70 -38.77 129.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -159.43 -44.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.47 -47.77 38.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.28 -56.2 0.73 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.143 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' GLY . 1.8 ttmt -81.13 141.57 34.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -37.39 -42.82 0.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.978 HG13 ' O ' ' A' ' 34' ' ' VAL . 53.9 t -40.4 146.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.607 HD21 ' CZ2' ' A' ' 57' ' ' TRP . 20.2 mt -100.25 169.24 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.5 m -126.24 179.22 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -54.14 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.586 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.15 -52.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -39.53 -71.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 6.1 t80 -57.25 -41.18 79.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.1 m-85 -61.41 -20.49 63.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.2 t -85.35 -64.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -44.36 -28.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 77' ' ' LEU . 1.1 mt -60.63 -77.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.477 ' CD ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -53.88 -31.15 48.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.77 HD22 HG12 ' A' ' 56' ' ' ILE . 1.6 tt -56.15 -40.18 73.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 76' ' ' ALA . 42.6 t -57.11 -41.65 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.802 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -60.24 -21.38 61.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.499 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -68.91 -67.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.228 -179.932 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.659 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -52.49 -21.92 4.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.477 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -69.97 -14.39 62.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 6.6 t30 -107.79 -14.91 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.75 5.49 56.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mt -77.6 164.11 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -41.61 163.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 56' ' ' ILE . 4.4 t -103.21 1.12 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -94.51 163.23 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.635 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.7 mt -61.75 -21.34 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -51.02 -48.4 61.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.487 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -73.5 -22.85 60.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.552 HD23 HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -64.05 -36.93 85.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.5 p -51.99 -23.14 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 93' ' ' SER . 1.8 mt -79.23 -166.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.13 73.16 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.552 HG11 HD23 ' A' ' 94' ' ' LEU . 8.9 m -54.47 146.55 32.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.802 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 174.98 11.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.06 142.53 27.77 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.08 -165.28 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.802 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.7 -29.74 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 25.3 m-85 -38.38 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 105' ' ' ASP . 80.6 t60 -79.38 171.15 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.61 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.409 HD23 ' CB ' ' A' ' 11' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m 177.16 174.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.048 HD13 ' CE1' ' A' ' 74' ' ' PHE . 3.9 mt -51.19 -39.7 57.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' GLY . 14.4 m -46.95 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.409 ' CB ' HD23 ' A' ' 7' ' ' LEU . 2.9 mm-40 -57.38 -32.36 66.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.12 -16.73 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -149.12 36.64 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.031 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.45 29.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' N ' ' C ' ' A' ' 13' ' ' SER . . . 89.22 58.46 1.66 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 5.3 t-20 -135.99 108.83 9.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.01 0.79 8.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.544 1.812 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.662 HG13 ' HD1' ' A' ' 19' ' ' TYR . 6.8 p -44.82 -39.3 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.662 ' HD1' HG13 ' A' ' 18' ' ' VAL . 8.6 m-85 -66.58 -36.79 83.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -58.85 -34.33 71.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -51.89 -53.55 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.425 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.1 m-85 -68.17 -44.64 75.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 48.8 t80 -52.08 -27.52 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -83.96 -28.33 27.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -61.92 -37.63 85.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.632 HG23 HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -76.07 -40.28 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.1 tt0 -40.91 143.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -123.8 144.14 49.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.25 -169.85 54.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -119.01 49.87 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.1 p -108.08 -29.34 9.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.71 25.43 20.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -130.71 145.63 51.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.782 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.0 p -91.68 116.88 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.736 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.9 mt -57.61 -13.72 4.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 88.5 -55.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -47.85 -38.37 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -72.99 -32.11 64.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.801 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -59.17 -40.41 85.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.03 -29.74 66.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -63.05 -55.23 27.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.68 ' HE2' HD21 ' A' ' 77' ' ' LEU . 29.3 t80 -59.89 -40.82 90.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 80' ' ' VAL . 79.4 mt -58.46 -46.37 86.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -20.08 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -78.42 2.46 18.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . 53.8 p -73.67 -69.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.01 -26.57 0.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.713 HD12 HG13 ' A' ' 80' ' ' VAL . 10.3 mt -64.4 163.08 28.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.97 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -97.23 -36.81 10.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.94 -54.31 47.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.694 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 mm -61.98 -35.21 67.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 10.3 mt -64.09 -52.03 61.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.64 -41.38 3.26 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.69 ' HB2' HG11 ' A' ' 89' ' ' VAL . 4.6 mtmt -62.08 -43.93 97.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 0.713 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.722 HG12 HD22 ' A' ' 79' ' ' LEU . 8.5 mt -56.75 -57.53 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.611 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 28.3 t-105 -55.23 -50.96 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -43.77 -45.98 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.853 HD11 ' HG ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -80.07 -27.53 39.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -63.18 -59.53 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -37.67 140.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.64 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.61 38.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.02 -133.71 11.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' CE ' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -162.86 168.92 20.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.473 ' C ' HG23 ' A' ' 67' ' ' VAL . . . 88.31 -16.48 52.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.565 1.166 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 34' ' ' VAL . 26.0 t -154.99 149.61 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.801 HD12 ' CB ' ' A' ' 39' ' ' ALA . 7.5 mt -99.37 179.96 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.04 155.37 45.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -47.58 -72.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.411 ' H ' ' CG ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -49.97 -60.38 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' VAL . 1.6 mm-40 -39.52 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 14.8 t80 -47.2 -42.68 20.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 1.048 ' CE1' HD13 ' A' ' 9' ' ' LEU . 1.2 m-85 -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -79.41 -56.13 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -52.52 -46.97 66.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.68 HD21 ' HE2' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -43.49 -63.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.48 ' CZ ' ' HG3' ' A' ' 101' ' ' PRO . 1.9 mmp_? -64.4 -33.33 75.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.722 HD22 HG12 ' A' ' 56' ' ' ILE . 2.4 tt -55.92 -37.8 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.713 HG13 HD12 ' A' ' 48' ' ' LEU . 92.2 t -60.5 -37.42 74.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.872 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.59 -18.7 64.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.753 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.7 OUTLIER -72.46 -70.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.41 -22.58 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.45 -13.52 30.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.455 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.8 t30 -109.8 -14.04 14.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.91 49.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.71 169.59 18.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.07 162.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.69 HG11 ' HB2' ' A' ' 55' ' ' LYS . 11.8 t -104.93 -0.02 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.2 m -94.41 164.33 13.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.853 ' HG ' HD11 ' A' ' 59' ' ' LEU . 6.9 mt -60.72 -22.79 64.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -47.97 58.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.521 ' HA ' HD12 ' A' ' 96' ' ' LEU . 1.3 m -72.65 -23.94 60.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.609 HD23 HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -62.4 -36.46 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.5 p -52.87 -22.68 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 93' ' ' SER . 2.0 mt -80.65 -167.62 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.21 74.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.753 HG12 ' SG ' ' A' ' 82' ' ' CYS . 5.7 m -53.06 144.61 27.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.872 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 174.88 12.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.02 139.79 24.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -162.94 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -101.86 -30.38 11.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 28.6 m-85 -38.47 161.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.65 137.07 57.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.615 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 71' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.89 152.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.584 HD22 ' CG ' ' A' ' 74' ' ' PHE . 5.8 mt -59.87 -36.85 77.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' SER . 7.7 p -56.39 -49.58 74.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -32.55 58.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -48.52 -43.6 35.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.74 56.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 58.69 14.92 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 81.51 42.66 9.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.722 ' CG ' HG12 ' A' ' 18' ' ' VAL . 34.9 t-20 -71.17 118.19 63.49 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.26 21.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.722 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.2 p -46.03 -41.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.64 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.8 m-85 -66.29 -37.69 86.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -38.14 34.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.552 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.03 -43.49 66.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 12.6 m-85 -74.4 -49.83 20.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 3.1 t80 -54.27 -28.3 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -29.11 35.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -32.9 72.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.591 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -86.81 -26.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.31 140.42 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.36 166.1 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.58 -170.55 1.3 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -124.27 52.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.2 p -111.94 -31.23 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.76 14.68 22.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' CZ ' HG11 ' A' ' 67' ' ' VAL . 4.0 mmm180 -115.1 141.22 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.965 ' O ' HG13 ' A' ' 67' ' ' VAL . 6.2 p -101.76 117.13 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.664 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -61.95 -12.81 20.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 81.68 -51.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ALA . 3.3 mm? -38.98 -46.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -64.43 -47.31 79.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.574 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -48.03 -38.97 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.07 -33.79 76.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -70.63 -47.83 58.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.591 ' HB2' HG12 ' A' ' 26' ' ' VAL . 21.4 t80 -55.25 -39.54 69.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 80' ' ' VAL . 70.3 mt -55.67 -44.6 77.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -53.44 -23.12 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -78.82 2.7 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 79.5 p -78.17 -74.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.443 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 163.83 -30.29 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.702 HD12 HG13 ' A' ' 80' ' ' VAL . 16.4 mt -69.38 161.51 73.08 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.542 0.789 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -171.9 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -87.76 -33.41 18.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.45 -68.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.482 HG21 ' HB1' ' A' ' 83' ' ' ALA . 4.9 mm -51.31 -37.17 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 56' ' ' ILE . 8.8 mt -62.49 -49.01 77.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.07 -39.91 3.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.871 ' HB2' HG11 ' A' ' 89' ' ' VAL . 16.5 mttt -65.56 -42.38 91.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.674 HG13 HG13 ' A' ' 89' ' ' VAL . 17.1 mt -57.01 -56.19 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.631 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 36.8 t-105 -55.43 -51.44 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -44.09 -44.22 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.785 HD11 ' HG ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -81.03 -27.62 35.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -67.44 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.3 t70 -37.82 136.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.6 m -151.39 -44.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -60.0 -49.46 77.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.79 -66.89 0.49 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -41.08 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 174.65 -50.12 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.965 HG13 ' O ' ' A' ' 34' ' ' VAL . 22.9 t -38.76 148.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.587 ' HB2' HG11 ' A' ' 34' ' ' VAL . 30.7 mt -100.31 163.43 12.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -111.05 -148.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -83.18 -96.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -44.26 -29.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -49.64 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 4.2 t80 -51.15 -31.7 20.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.2 m-85 -69.99 -21.43 63.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 76' ' ' ALA . 2.1 t -83.55 -62.2 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -47.38 -26.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -65.78 -74.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.502 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -51.63 -29.91 19.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.686 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.1 tt -57.74 -43.55 85.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 76' ' ' ALA . 85.0 t -54.72 -36.94 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.872 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.88 -17.43 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.798 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -76.98 -70.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.259 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -50.46 -23.4 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.456 ' N ' HD11 ' A' ' 48' ' ' LEU . 2.3 mm-40 -56.27 -25.0 46.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -103.57 -16.71 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.95 12.95 21.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 mt -77.91 172.78 12.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 93' ' ' SER . 2.9 tp10 -51.29 161.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.871 HG11 ' HB2' ' A' ' 55' ' ' LYS . 34.7 t -104.24 -1.47 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.23 165.35 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.785 ' HG ' HD11 ' A' ' 59' ' ' LEU . 6.1 mt -61.45 -21.37 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -51.34 -48.75 62.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.036 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 88' ' ' GLU . 86.1 p -73.3 -22.48 60.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.478 ' CB ' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -65.48 -36.88 85.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.7 p -53.28 -25.02 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.08 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 93' ' ' SER . 1.4 mt -77.3 -163.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.78 64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.798 HG12 ' SG ' ' A' ' 82' ' ' CYS . 9.7 m -43.57 146.28 0.98 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.872 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 174.82 12.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -74.97 140.76 25.9 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -164.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.73 -30.15 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 27.6 m-85 -38.92 161.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.84 170.75 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.609 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 8' ' ' SER . 7.4 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER 163.78 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.988 HD22 ' CG ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -55.67 -41.92 74.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' SER . 6.4 m -47.51 -54.32 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -76.36 -32.11 58.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -42.04 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.41 58.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 54.79 18.63 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.23 29.88 55.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -55.82 121.06 37.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.47 7.72 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -56.74 -43.0 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 18.1 m-85 -66.77 -34.62 78.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -33.77 65.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -38.15 85.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 20.4 m-85 -77.79 -42.64 33.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.534 ' CE1' HG11 ' A' ' 34' ' ' VAL . 13.8 t80 -54.04 -33.26 56.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -24.69 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -34.94 77.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.641 HG23 HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -87.6 -25.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -61.77 117.12 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.084 ' HB3' HG21 ' A' ' 31' ' ' THR . . . -49.41 166.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.993 ' O ' HG23 ' A' ' 31' ' ' THR . . . -79.89 149.66 31.61 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.47 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 0.5 OUTLIER 37.26 51.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' THR . . . . . 1.084 HG21 ' HB3' ' A' ' 28' ' ' ALA . 22.2 p -119.9 -38.41 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.92 -22.88 8.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 164.18 28.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 67' ' ' VAL . 1.9 p -92.35 112.2 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.728 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -57.1 -15.0 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.793 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 86.56 -48.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -40.07 -45.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.1 m-20 -73.4 -41.82 62.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.598 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.69 -38.45 55.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.68 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -70.73 -32.37 69.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.12 68.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.556 ' HB2' HG12 ' A' ' 26' ' ' VAL . 83.8 t80 -66.42 -29.08 69.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 45' ' ' LYS . 72.3 mt -75.01 -46.74 33.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -20.9 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 43' ' ' LEU . 2.2 mmmt -71.06 -5.08 28.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.538 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 24.2 p -68.24 -55.95 10.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.23 -35.9 1.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.519 HD12 HG13 ' A' ' 80' ' ' VAL . 2.1 mt -60.69 162.35 12.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.409 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 -165.45 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -95.23 -28.61 14.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.452 HD23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.48 -61.07 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.452 HG13 HD23 ' A' ' 51' ' ' LEU . 1.8 mt -56.03 -37.2 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.56 HD23 HD12 ' A' ' 56' ' ' ILE . 7.9 mt -63.6 -49.5 73.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.14 -44.94 3.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HB2' HG11 ' A' ' 89' ' ' VAL . 6.5 mtmt -60.62 -45.46 93.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.734 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.849 HG23 HD13 ' A' ' 79' ' ' LEU . 57.8 mt -55.87 -55.62 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.793 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 16.8 t-105 -55.35 -55.85 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 108.021 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.34 -29.52 4.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.566 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.9 tm? -88.8 -29.31 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -71.29 -58.91 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ALA . 37.8 t70 -39.48 126.0 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -164.64 -43.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -46.87 -40.24 13.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.88 11.39 16.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.52 142.24 26.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -43.8 -48.81 7.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 34' ' ' VAL . 38.9 t -45.36 147.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.598 HD12 ' CB ' ' A' ' 39' ' ' ALA . 21.3 mt -102.12 173.55 6.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -128.24 -156.31 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -77.05 -88.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' CG ' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -38.02 -52.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -43.71 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' A' ' 23' ' ' TYR . 48.4 t80 -51.67 -32.17 28.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.988 ' CG ' HD22 ' A' ' 9' ' ' LEU . 2.8 m-85 -79.94 -0.88 36.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.451 HG11 HD11 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -104.46 -55.29 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -56.61 -31.74 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -55.02 -72.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.489 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -55.4 -32.77 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.849 HD13 HG23 ' A' ' 56' ' ' ILE . 2.0 tt -50.25 -48.27 54.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.519 HG13 HD12 ' A' ' 48' ' ' LEU . 79.7 t -51.68 -43.71 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -56.91 -18.38 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.6 t -73.49 -69.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 108.304 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.6 -21.41 3.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.455 ' HG2' HD11 ' A' ' 48' ' ' LEU . 2.5 mm-40 -62.13 -25.6 67.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 29.5 t-20 -100.17 -10.85 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.43 11.48 47.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 70.7 mt -77.81 179.26 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.41 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 5.2 tt0 -58.18 166.51 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 55' ' ' LYS . 10.9 t -107.57 -10.16 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 94' ' ' LEU . 3.6 m -94.46 141.42 28.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.066 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.707 ' HA ' HD23 ' A' ' 94' ' ' LEU . 3.8 mt -52.36 -24.34 7.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -53.28 -20.5 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.582 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -121.09 32.16 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.936 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.707 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.4 mm? -111.35 -176.05 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 p 72.78 27.73 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -109.94 -165.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.25 61.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 m -72.25 154.68 92.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.47 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.04 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.96 146.88 33.36 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.03 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 46' ' ' SER . 1.9 tpt180 -99.61 -31.36 11.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 22.8 m-85 -40.14 162.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 173.21 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -36.36 149.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.965 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.005 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 1.3 mt -57.4 -37.01 72.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' SER . 17.3 m -53.92 -51.08 64.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -33.08 57.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -51.44 -45.76 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.21 55.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 59.88 13.82 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.44 ' N ' ' HA ' ' A' ' 10' ' ' THR . . . 81.76 42.56 8.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.686 ' CG ' HG12 ' A' ' 18' ' ' VAL . 38.0 t-20 -67.35 126.1 92.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.01 -18.59 18.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.686 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.0 p -41.86 -44.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.703 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 17.8 m-85 -66.66 -38.83 87.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -54.83 -39.84 68.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.44 -52.8 15.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -67.59 -52.81 34.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.796 ' CE1' HG21 ' A' ' 34' ' ' VAL . 12.5 t80 -52.79 -23.07 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -24.65 28.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -63.96 -38.81 92.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.2 m -67.43 -34.5 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -38.98 146.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.23 169.0 18.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.08 -167.02 7.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -116.24 47.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.48 -29.54 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.38 -0.2 80.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -116.25 158.7 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.796 HG21 ' CE1' ' A' ' 23' ' ' TYR . 75.8 t -85.21 114.55 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.688 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -63.51 -11.58 25.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.19 -53.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -40.37 -57.79 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.701 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -57.71 -39.51 77.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -48.63 -53.28 19.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.82 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -71.5 -55.46 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.624 ' HB2' HG12 ' A' ' 26' ' ' VAL . 47.5 t80 -55.46 -29.77 59.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.04 -48.25 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -54.21 -19.95 6.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -78.29 1.41 21.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 91.2 p -74.94 -78.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 164.18 -27.26 0.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.566 HD12 HG13 ' A' ' 80' ' ' VAL . 13.0 mt -71.15 162.67 71.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.78 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.443 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.01 175.87 10.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.96 -30.23 44.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -60.07 -64.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.544 HG23 HG21 ' A' ' 89' ' ' VAL . 1.9 mt -56.6 -35.16 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 49' ' ' PRO . 6.9 mt -62.63 -50.09 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.65 -44.67 4.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -61.85 -42.53 99.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.517 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 31.9 mt -57.19 -57.65 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.512 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 20.9 t-105 -55.51 -53.72 52.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -43.73 -46.5 7.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 91' ' ' LEU . 2.2 tm? -75.46 -30.64 60.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -65.36 -65.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.1 t0 -38.9 131.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -155.35 -46.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.8 -55.53 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.94 -116.65 0.42 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.21 163.44 15.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.501 ' O ' HG22 ' A' ' 67' ' ' VAL . . . 85.37 -15.38 45.7 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -154.26 162.55 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 0.8 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.532 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 89.6 mt -120.36 158.18 27.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.428 ' HB2' ' HG2' ' A' ' 72' ' ' GLU . 56.1 m -91.03 -98.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -159.26 -63.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -54.47 -46.54 73.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' N ' ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -49.32 -70.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.4 t80 -53.16 -23.68 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 1.005 ' CZ ' HD13 ' A' ' 9' ' ' LEU . 1.4 m-85 -77.22 -20.95 54.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.613 HG11 HD11 ' A' ' 91' ' ' LEU . 1.1 t -87.07 -56.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.553 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -48.8 -37.06 18.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -49.3 -68.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' NH1' ' OH ' ' A' ' 19' ' ' TYR . 5.2 mmp_? -64.6 -25.59 68.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.496 ' CD2' HD21 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -58.41 -38.71 77.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 ' HB2' ' A' ' 46' ' ' SER . 17.3 t -60.41 -51.16 76.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.873 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -55.38 -24.26 28.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.584 ' HA ' HG23 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -71.12 -66.17 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.305 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.25 -21.72 60.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -60.95 -13.89 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.9 t-20 -112.78 16.64 19.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.74 10.48 86.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.592 1.182 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.3 mt -78.31 167.64 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.495 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -50.46 170.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.544 HG21 HG23 ' A' ' 52' ' ' ILE . 16.3 t -115.03 -9.8 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.762 ' O ' HD23 ' A' ' 94' ' ' LEU . 12.0 m -94.39 151.41 19.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.613 HD11 HG11 ' A' ' 75' ' ' VAL . 7.3 mt -64.3 -23.75 67.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 m -58.76 -20.15 46.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.495 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -119.9 32.33 6.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 90' ' ' SER . 3.6 mm? -109.09 -169.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.9 t 64.38 38.81 7.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.71 -157.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.88 54.85 3.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.584 HG23 ' HA ' ' A' ' 82' ' ' CYS . 1.6 p -63.92 128.14 92.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.873 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 174.77 12.21 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.435 1.755 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.98 144.4 30.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.553 1.818 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.97 -165.32 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.809 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 15.9 ttt-85 -99.69 -30.05 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 28.6 m-85 -38.52 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -66.99 170.42 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.629 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.65 HD11 ' HB3' ' A' ' 70' ' ' LYS . 20.6 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' SER . 87.9 m -49.67 -70.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -59.46 -33.59 71.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.5 tm? -45.85 -40.9 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -166.71 61.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.941 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 41.67 28.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 68.28 51.65 31.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.661 ' CG ' HG12 ' A' ' 18' ' ' VAL . 11.3 t-20 -88.08 114.52 59.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.754 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.96 -12.38 21.6 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.661 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.6 p -45.08 -40.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 11.6 m-85 -66.32 -37.33 85.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -52.13 -35.19 47.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.55 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -55.62 -40.78 72.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 13.7 m-85 -76.38 -47.6 22.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CE1' HG21 ' A' ' 34' ' ' VAL . 21.7 t80 -54.17 -23.71 15.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -24.02 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.16 -37.84 86.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -78.75 -41.4 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -38.67 137.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -111.57 157.57 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.45 -165.55 53.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.02 55.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.7 p -114.35 -37.51 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.37 30.73 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -134.78 143.67 47.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.275 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.921 ' O ' HG13 ' A' ' 67' ' ' VAL . 44.4 t -90.01 114.54 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.702 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -61.83 -11.91 14.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 84.73 -54.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -43.64 -51.46 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -59.07 -37.52 77.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -49.88 -55.65 13.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.34 -31.12 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -65.92 -49.73 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.682 ' HB2' HG12 ' A' ' 26' ' ' VAL . 84.8 t80 -65.57 -33.94 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' SER . 80.1 mt -67.37 -48.25 68.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -21.03 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -78.34 2.49 18.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.4 p -75.24 -71.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 154.09 -28.17 0.72 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.621 HD12 HG13 ' A' ' 80' ' ' VAL . 9.0 mt -65.67 161.77 49.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 169.51 22.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.07 -31.6 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.5 -64.65 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.602 HG21 ' HB1' ' A' ' 83' ' ' ALA . 5.5 mm -54.89 -36.69 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.833 HD23 HD12 ' A' ' 56' ' ' ILE . 9.3 mt -61.65 -50.32 72.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.39 -43.96 3.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.715 ' HB2' HG11 ' A' ' 89' ' ' VAL . 8.9 mttt -60.34 -43.55 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.833 HD12 HD23 ' A' ' 53' ' ' LEU . 73.5 mt -56.93 -54.56 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.478 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 30.3 t-105 -55.45 -56.05 24.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -44.96 -51.11 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -69.83 -27.18 64.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -72.42 -70.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 30.3 t0 -38.26 127.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 m -160.93 -43.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.93 -46.9 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.36 -62.12 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -76.51 146.21 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -44.28 -46.99 8.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.8 t -39.73 148.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.536 HD12 ' HB2' ' A' ' 39' ' ' ALA . 90.4 mt -100.21 174.91 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.423 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -127.35 -150.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.65 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -83.24 -94.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.609 ' OE1' HD23 ' A' ' 12' ' ' LEU . 1.4 mm100 -39.98 -50.94 2.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -39.74 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 10.3 t80 -60.28 -42.99 96.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.635 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.9 m-85 -60.66 -19.16 57.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 76' ' ' ALA . 2.0 t -84.48 -65.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.07 -30.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -59.53 -77.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.449 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -53.56 -26.34 20.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.751 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.1 tt -57.48 -46.46 83.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 76' ' ' ALA . 59.5 t -54.13 -36.89 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -65.82 -13.75 60.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -75.51 -67.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 108.297 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.602 ' HB1' HG21 ' A' ' 52' ' ' ILE . . . -55.46 -19.91 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.31 -25.94 68.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.461 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 22.4 t30 -103.38 -9.2 19.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 97.64 12.82 46.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.495 ' CD1' HG12 ' A' ' 98' ' ' VAL . 94.0 mt -77.88 -178.97 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.796 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.7 OUTLIER -60.13 173.04 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 55' ' ' LYS . 13.3 t -115.06 -9.8 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.721 ' O ' HD23 ' A' ' 94' ' ' LEU . 37.7 m -94.53 153.44 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.601 ' HA ' HD23 ' A' ' 94' ' ' LEU . 8.0 mt -62.46 -24.68 67.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.9 t -56.28 -18.32 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.516 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -120.84 29.62 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.43 -177.69 3.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 p 72.89 35.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.516 HD11 ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -116.5 -161.96 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.47 57.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.495 HG12 ' CD1' ' A' ' 87' ' ' LEU . 15.7 m -68.2 156.81 89.17 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.489 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.05 173.88 13.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.99 145.95 32.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.512 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.92 -163.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -99.76 -31.08 11.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.0 m-85 -39.35 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -65.95 166.15 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.647 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 70' ' ' LYS . 40.0 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.2 m -49.24 -64.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.31 -33.92 75.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -45.23 -41.1 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -167.61 62.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 42.36 27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.987 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.85 52.86 17.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.649 ' CG ' HG12 ' A' ' 18' ' ' VAL . 18.5 t-20 -89.41 114.61 61.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.41 18.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.649 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.4 p -52.0 -38.66 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.637 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 12.0 m-85 -66.46 -34.68 78.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -39.63 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 22' ' ' TYR . 4.7 ptmt -49.19 -44.06 42.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CE1' ' HD3' ' A' ' 21' ' ' LYS . 12.1 m-85 -75.89 -46.8 28.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -51.45 -28.93 14.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -89.47 -24.05 21.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.48 -32.61 73.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.678 HG23 HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -85.72 -40.7 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -39.03 139.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.33 147.56 34.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.65 -170.48 51.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -121.62 51.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.8 p -107.32 -33.08 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.12 25.11 8.07 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -130.73 141.46 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.942 ' O ' HG13 ' A' ' 67' ' ' VAL . 71.0 t -91.99 115.92 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.698 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -61.3 -12.3 13.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.02 -50.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -44.27 -44.6 8.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -70.51 -35.81 73.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.626 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -57.46 -35.71 70.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.15 57.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.42 -47.21 35.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.565 ' HB2' HG12 ' A' ' 26' ' ' VAL . 22.2 t80 -61.84 -45.58 93.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 46' ' ' SER . 21.1 mt -52.3 -48.43 65.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' A' ' 46' ' ' SER . 1.9 mttm -47.44 -24.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -81.46 24.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB2' HG11 ' A' ' 80' ' ' VAL . 86.9 p -97.38 -74.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 160.29 -26.68 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.122 HD12 HG13 ' A' ' 80' ' ' VAL . 14.5 mt -67.66 161.85 62.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.94 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.798 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.57 -37.42 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -60.24 -54.1 49.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.677 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 mm -63.3 -34.68 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.787 HD23 HD12 ' A' ' 56' ' ' ILE . 8.6 mt -63.58 -51.82 63.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.11 -45.74 4.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -57.61 -44.31 85.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.787 HD12 HD23 ' A' ' 53' ' ' LEU . 47.3 mt -56.15 -54.49 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.64 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 26.9 t-105 -55.34 -55.87 26.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 107.956 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -43.45 -49.37 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 91' ' ' LEU . 1.6 tm? -71.06 -31.22 67.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.28 -68.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ALA . 23.2 t70 -38.75 126.98 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 m -161.78 -43.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.382 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -49.22 -47.54 46.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.49 -57.62 0.67 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -82.48 139.13 34.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.738 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.55 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -39.19 -41.28 1.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.942 HG13 ' O ' ' A' ' 34' ' ' VAL . 45.8 t -43.74 145.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.626 HD12 ' CB ' ' A' ' 39' ' ' ALA . 31.4 mt -99.94 171.16 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -123.99 -149.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.07 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.724 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -83.12 -90.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 9.5 mt-30 -39.28 -47.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.087 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -43.27 -72.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.44 -40.02 77.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.637 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -66.61 -10.76 49.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -93.41 -60.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.557 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -48.1 -28.07 2.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.712 HD23 ' CE2' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -61.14 -69.36 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.498 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -61.03 -25.86 67.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.767 HD21 ' O ' ' A' ' 89' ' ' VAL . 0.9 OUTLIER -57.77 -41.1 81.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.122 HG13 HD12 ' A' ' 48' ' ' LEU . 44.8 t -60.07 -40.28 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.706 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -61.88 -14.81 37.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.605 ' SG ' HG11 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -77.29 -68.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 108.292 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -56.0 -19.68 13.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -61.16 -23.28 65.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.467 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 21.0 t-20 -102.83 -11.46 18.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.06 10.44 39.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.484 HD12 HG12 ' A' ' 98' ' ' VAL . 72.4 mt -77.93 -179.69 6.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -60.71 165.44 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.767 ' O ' HD21 ' A' ' 79' ' ' LEU . 8.9 t -106.41 -10.74 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.607 ' O ' HD23 ' A' ' 94' ' ' LEU . 71.0 m -94.36 150.57 20.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.741 HD12 HD11 ' A' ' 59' ' ' LEU . 6.1 mt -58.42 -25.38 62.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 m -52.29 -20.91 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.496 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -120.45 32.05 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.2 mm? -109.75 -177.51 3.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p 74.8 31.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.443 HD11 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -115.79 -161.12 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.35 68.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.605 HG11 ' SG ' ' A' ' 82' ' ' CYS . 15.7 m -77.25 157.15 81.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.706 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 174.39 12.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.02 147.51 33.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.506 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.05 -163.52 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -99.65 -30.66 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.712 ' CE2' HD23 ' A' ' 77' ' ' LEU . 25.8 m-85 -39.04 161.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 171.22 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.75 HD22 ' CG ' ' A' ' 74' ' ' PHE . 14.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' SER . 1.7 t -48.55 -54.46 14.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' HG23 ' A' ' 10' ' ' THR . 1.2 mm-40 -76.18 -33.12 59.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -49.75 -38.32 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' ASN . 0.4 OUTLIER -170.17 60.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 44.88 26.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 67.42 40.46 91.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.686 ' CG ' HG12 ' A' ' 18' ' ' VAL . 8.8 t-20 -68.58 121.27 80.28 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -9.4 20.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.686 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.0 p -53.8 -43.76 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.631 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 19.0 m-85 -66.61 -35.02 79.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -38.04 82.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -52.53 -44.8 65.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -73.93 -50.65 19.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -54.11 -19.97 5.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -24.72 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -38.88 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.723 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -75.02 -40.73 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -40.61 143.89 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.94 139.89 53.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.95 -175.87 43.65 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -115.99 47.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 p -109.63 -27.17 9.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.82 32.66 10.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -134.54 139.62 45.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.274 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.899 ' O ' HG13 ' A' ' 67' ' ' VAL . 88.3 t -86.11 115.05 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.706 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.1 mt -61.57 -12.09 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.2 -56.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mp -43.06 -39.19 2.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -71.6 -44.77 63.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.592 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -47.63 -45.53 27.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.23 76.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -62.2 -52.98 61.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.637 ' HB2' HG12 ' A' ' 26' ' ' VAL . 37.0 t80 -64.05 -43.42 95.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 46' ' ' SER . 82.2 mt -56.35 -48.67 76.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -47.1 -25.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 43' ' ' LEU . 3.1 mtmt -81.44 25.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' LEU . 82.6 p -93.39 -74.02 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.6 -28.01 0.48 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.131 HD12 HG13 ' A' ' 80' ' ' VAL . 12.0 mt -67.91 160.42 74.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.69 12.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -77.03 -37.62 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.28 -63.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.451 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.8 mm -54.66 -36.76 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.2 mt -62.18 -51.53 67.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.66 -44.26 2.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -60.46 -45.9 92.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 14.8 mt -55.35 -52.87 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.528 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 26.7 t-105 -54.85 -55.29 31.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -45.3 -43.19 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.667 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.2 tm? -75.97 -30.52 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -71.26 -67.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TRP . 17.3 t70 -38.98 127.57 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.8 m -144.65 -45.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -48.26 -57.91 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 65' ' ' LYS . . . 103.77 82.53 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER 168.32 -42.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.326 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 145.81 -60.97 0.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.4 t -40.06 148.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.592 HD12 ' CB ' ' A' ' 39' ' ' ALA . 36.3 mt -100.37 -176.47 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -143.55 174.62 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.632 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -49.14 -92.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.546 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.54 -50.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -41.03 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.6 t80 -57.73 -40.76 80.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.75 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.7 m-85 -63.08 -16.7 60.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.3 t -89.43 -63.88 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -46.44 -26.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.487 HD22 HH21 ' A' ' 78' ' ' ARG . 0.3 OUTLIER -61.08 -76.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.487 HH21 HD22 ' A' ' 77' ' ' LEU . 1.1 mmp_? -56.08 -37.75 69.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.77 HD21 ' O ' ' A' ' 89' ' ' VAL . 2.2 tt -45.94 -42.28 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.131 HG13 HD12 ' A' ' 48' ' ' LEU . 39.3 t -61.14 -40.58 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.75 -17.3 34.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.552 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.6 OUTLIER -77.02 -67.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.281 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.604 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -48.58 -24.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.12 -13.13 23.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.4 t30 -115.07 2.45 14.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.93 10.37 75.62 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.07 164.29 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.459 ' N ' ' OG ' ' A' ' 93' ' ' SER . 1.9 tt0 -42.1 164.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.77 ' O ' HD21 ' A' ' 79' ' ' LEU . 15.6 t -108.11 -6.44 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.25 169.31 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.583 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.3 mt -55.12 -19.78 8.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -67.49 -6.5 19.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -94.8 -15.77 23.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 94' ' ' LEU . 9.2 mt -87.66 179.9 6.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.5 p 82.19 2.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.041 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.06 -166.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.08 56.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.552 HG12 ' SG ' ' A' ' 82' ' ' CYS . 23.2 m -52.2 146.13 16.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.776 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.06 174.07 13.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.97 143.51 29.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.557 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.98 -164.11 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 1.3 ttt-85 -99.62 -30.7 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 26.6 m-85 -39.32 161.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -66.35 166.64 11.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 70' ' ' LYS . 9.6 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.484 ' O ' ' CA ' ' A' ' 14' ' ' SER . 8.0 m -55.69 -52.19 64.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -32.74 59.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.85 -38.81 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -168.37 60.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.484 ' CA ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 44.05 26.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 71.51 51.81 15.1 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.689 ' CG ' HG12 ' A' ' 18' ' ' VAL . 23.9 t-20 -88.01 116.18 65.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.43 21.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.689 HG12 ' CG ' ' A' ' 16' ' ' ASN . 11.9 p -46.49 -38.97 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.631 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 12.9 m-85 -65.82 -41.22 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -39.84 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -44.95 -50.56 10.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 15.7 m-85 -70.24 -42.43 72.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.793 ' CE1' HG21 ' A' ' 34' ' ' VAL . 7.3 t80 -54.11 -29.25 44.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 -26.83 29.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -34.35 75.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -81.74 -35.66 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.1 tt0 -48.4 143.64 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.342 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -113.29 165.29 12.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.88 -168.66 1.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -120.54 47.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.8 p -99.98 -34.66 10.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.74 30.01 7.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -134.56 145.37 48.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.901 ' O ' HG13 ' A' ' 67' ' ' VAL . 55.3 t -93.21 112.61 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -59.7 -13.42 9.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 84.86 -54.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -41.74 -41.32 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -73.45 -42.19 62.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.815 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -52.23 -39.4 60.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.711 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -69.62 -30.0 67.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.92 -49.9 47.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 78.8 t80 -62.39 -34.39 76.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -68.87 -46.92 67.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -21.31 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.81 0.69 22.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.7 p -69.58 -72.88 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.415 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 159.67 -27.13 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.639 HD12 HG13 ' A' ' 80' ' ' VAL . 12.0 mt -68.9 162.13 66.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 168.27 25.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -75.7 -33.6 60.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.71 -67.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -51.41 -37.75 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.558 HD23 HD12 ' A' ' 56' ' ' ILE . 9.7 mt -62.13 -50.04 73.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.48 -46.89 2.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -58.74 -45.67 89.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.558 HD12 HD23 ' A' ' 53' ' ' LEU . 33.7 mt -56.66 -50.19 75.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.711 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 13.9 t-105 -55.38 -58.93 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -47.26 -39.66 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.598 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.7 tm? -74.77 -31.03 61.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -77.2 -69.05 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 57' ' ' TRP . 13.4 t70 -37.22 128.24 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 m -157.66 -44.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -43.98 -47.76 8.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.0 -63.54 0.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -72.82 140.2 47.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -37.94 -45.08 1.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.901 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.6 t -39.39 148.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.815 HD12 ' CB ' ' A' ' 39' ' ' ALA . 26.9 mt -100.58 170.17 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -127.3 179.27 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.684 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -54.31 -96.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.55 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.07 -50.45 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 3.9 mp0 -41.51 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.666 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 25.6 t80 -59.55 -36.74 76.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.6 m-85 -66.96 -17.0 64.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 76' ' ' ALA . 2.2 t -86.31 -66.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.991 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.88 -27.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.514 HD13 ' HD1' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -61.81 -78.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -53.06 -38.07 62.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.582 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.6 tt -49.11 -44.24 42.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.991 HG23 ' O ' ' A' ' 76' ' ' ALA . 73.0 t -55.6 -38.1 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -64.76 -12.67 49.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 6.9 t -73.75 -73.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -51.27 -25.23 5.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.416 ' N ' HD11 ' A' ' 48' ' ' LEU . 2.2 mm-40 -53.53 -30.35 41.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.462 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 3.7 t30 -108.86 21.16 17.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.09 13.82 73.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 74.8 mt -77.95 161.89 27.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.54 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -43.21 166.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.549 HG12 ' CG1' ' A' ' 56' ' ' ILE . 1.8 t -113.32 -13.23 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.811 ' O ' HD23 ' A' ' 94' ' ' LEU . 60.5 m -94.37 149.74 20.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD23 ' CB ' ' A' ' 94' ' ' LEU . 6.5 mt -63.26 -21.76 66.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.3 m -59.7 -15.26 18.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.54 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -126.02 32.49 5.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.811 HD23 ' O ' ' A' ' 90' ' ' SER . 4.1 mm? -111.96 -178.59 3.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.1 p 79.23 27.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.946 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.69 -160.52 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.57 70.35 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 m -78.02 148.14 74.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.518 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.551 1.816 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.79 32.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.529 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -163.82 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -99.76 -30.85 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 25.7 m-85 -39.0 161.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -67.9 169.33 10.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.569 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.911 HD22 ' CG ' ' A' ' 74' ' ' PHE . 15.8 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' GLY . 68.1 p -51.11 -64.31 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -57.2 -29.98 64.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -16.68 14.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -149.51 21.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.6 OUTLIER 58.92 16.05 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 104.36 52.16 0.89 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 7.0 t-20 -134.32 109.37 11.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.02 2.53 6.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 p -42.98 -36.76 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.003 ' CE2' HD13 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.7 -42.21 91.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -45.44 -39.37 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -51.66 -64.36 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-30 -56.76 -44.27 81.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -54.13 -32.36 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.6 -25.43 28.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -37.16 83.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.516 ' CG2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -78.92 -37.78 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -41.14 138.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -112.48 132.04 55.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.89 -171.2 42.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -121.84 51.44 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.9 p -113.37 -14.41 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.392 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.63 66.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.5 145.84 40.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.826 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.0 t -99.56 115.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.1 mt -62.29 -11.99 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 80.16 -54.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -41.08 -41.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -70.59 -45.41 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.752 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -50.24 -42.25 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.85 -30.88 71.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.81 -49.1 50.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 35.3 t80 -62.57 -37.41 86.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.0 mt -63.1 -43.81 97.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -22.19 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.96 -4.09 30.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.2 p -67.64 -73.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.55 -23.75 0.5 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.753 HD12 HG13 ' A' ' 80' ' ' VAL . 23.4 mt -70.92 161.24 79.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.511 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.97 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -31.39 12.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.83 -63.78 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.506 HG21 ' HB1' ' A' ' 83' ' ' ALA . 3.5 mm -57.21 -35.15 47.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 49' ' ' PRO . 5.4 mt -64.49 -45.0 89.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.85 -46.95 9.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -43.8 98.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.664 HG23 HD13 ' A' ' 79' ' ' LEU . 4.0 mt -57.02 -56.03 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.546 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 21.6 t-105 -55.32 -55.01 36.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -45.72 -42.12 11.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.883 HD11 HD12 ' A' ' 91' ' ' LEU . 1.7 tm? -77.15 -30.42 55.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.14 -61.29 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' ALA . 22.1 t70 -39.18 132.15 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -165.89 -42.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -62.42 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.17 115.35 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 163.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 85.09 -15.57 43.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.826 HG13 ' O ' ' A' ' 34' ' ' VAL . 6.2 t -152.71 150.23 12.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.774 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.752 HD12 ' CB ' ' A' ' 39' ' ' ALA . 49.0 mt -106.05 163.99 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.6 m -118.6 -174.09 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.483 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -59.89 -97.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.532 ' N ' HD21 ' A' ' 9' ' ' LEU . 38.6 mt-30 -37.5 -37.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -55.91 -25.77 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.911 ' CG ' HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -82.0 -2.07 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 91' ' ' LEU . 1.9 t -104.63 -51.92 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.887 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -57.06 -29.35 63.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.003 HD13 ' CE2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -51.57 -71.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.538 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 2.6 mmp_? -60.74 -41.45 95.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.664 HD13 HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -45.87 -40.68 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 76' ' ' ALA . 75.1 t -58.74 -43.99 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.32 -18.31 26.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -67.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.337 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.646 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -52.58 -21.47 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.464 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -69.31 -14.53 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 21.8 t-20 -109.36 -4.84 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.74 10.31 67.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.9 mt -77.85 -179.02 5.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 1.8 tp10 -59.28 163.15 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.511 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 3.1 t -105.57 -10.55 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.491 ' O ' HD23 ' A' ' 94' ' ' LEU . 14.6 m -94.53 140.74 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.883 HD12 HD11 ' A' ' 59' ' ' LEU . 5.7 mt -54.02 -25.24 20.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.6 m -54.31 -19.47 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.503 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.28 29.84 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.2 mm? -108.74 -177.36 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 p 74.59 32.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -113.99 -162.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.12 61.81 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 10.5 m -70.89 148.33 94.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.464 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -74.98 174.07 13.41 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.04 142.99 28.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.556 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.02 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 103' ' ' PHE . 1.4 ttt180 -100.67 -30.87 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 26.6 m-85 -38.85 161.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -65.9 146.12 55.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.547 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.733 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.6 mt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 14' ' ' SER . 8.4 m -52.99 -59.78 4.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -61.58 -30.39 70.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -45.52 -54.95 6.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -149.85 49.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 59.14 12.6 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 93.39 55.06 1.61 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.687 ' CG ' HG12 ' A' ' 18' ' ' VAL . 32.3 t-20 -106.8 118.32 54.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.59 8.72 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.687 HG12 ' CG ' ' A' ' 16' ' ' ASN . 9.3 p -56.1 -41.28 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.007 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -67.04 -35.16 79.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.051 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.543 ' OE1' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.53 -35.88 78.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -43.44 20.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.563 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 14.1 m-85 -71.13 -45.17 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.832 ' CE2' HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -54.33 -32.44 56.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -27.79 51.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.29 -34.74 78.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.69 HG23 HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.68 -10.57 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.78 140.38 58.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.494 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -129.21 156.27 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.91 -177.01 53.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.55 1.156 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -114.78 47.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.8 p -111.35 -30.58 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.57 27.31 15.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -128.6 155.91 44.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.917 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.9 t -86.69 111.14 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.655 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.9 mt -61.73 -12.35 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 81.8 -54.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -40.74 -57.98 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.67 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -58.41 -40.22 81.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -47.31 -51.56 18.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.86 -27.43 65.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -67.92 -50.15 57.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 46.5 t80 -66.14 -30.88 71.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.9 mt -64.59 -47.43 78.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -19.73 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -78.87 6.31 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.559 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 92.7 p -80.35 -78.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.987 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.43 -27.98 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.773 HD12 HG13 ' A' ' 80' ' ' VAL . 17.6 mt -66.54 161.12 62.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -75.02 -165.22 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.562 1.822 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -95.16 -35.41 11.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.642 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.76 -54.13 49.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.642 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.2 mm -61.39 -35.76 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 49' ' ' PRO . 7.8 mt -64.72 -50.12 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.33 -43.26 3.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.587 1.18 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HB2' HG11 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -63.63 -43.04 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.656 HG12 HD22 ' A' ' 79' ' ' LEU . 21.9 mt -57.21 -56.25 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.526 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 18.0 t-105 -55.48 -54.54 42.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 108.038 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -44.1 -46.66 8.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.865 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.06 -29.63 60.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -69.25 -67.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ALA . 1.1 t70 -37.85 126.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 m -160.17 -43.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -61.73 -39.05 90.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.91 173.0 18.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.89 -79.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 169.09 -44.09 0.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 34' ' ' VAL . 28.2 t -40.31 147.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.444 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 42.3 mt -100.99 174.11 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -129.62 -152.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.733 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -76.7 -89.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.62 -50.72 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.41 -67.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.704 ' CE1' HD12 ' A' ' 77' ' ' LEU . 2.0 t80 -58.67 -44.8 90.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.682 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -63.23 -10.98 17.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.6 t -94.61 -57.38 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.684 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -52.85 -29.62 29.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.007 HD13 ' CZ ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -65.55 -71.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.597 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -50.83 -41.47 57.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.656 HD22 HG12 ' A' ' 56' ' ' ILE . 2.2 tt -45.86 -44.76 14.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.773 HG13 HD12 ' A' ' 48' ' ' LEU . 83.3 t -52.59 -42.73 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.68 -18.76 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -72.82 -72.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.666 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -51.34 -22.41 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -59.66 -27.05 66.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 11.0 t-20 -99.98 -13.12 19.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.64 11.88 34.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.567 HD12 HG12 ' A' ' 98' ' ' VAL . 89.1 mt -77.85 176.53 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.484 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 4.5 tt0 -55.68 166.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.678 HG11 ' HB2' ' A' ' 55' ' ' LYS . 23.2 t -106.33 -11.79 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.621 ' O ' HD23 ' A' ' 94' ' ' LEU . 7.0 m -94.67 149.86 20.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.703 ' HA ' HD23 ' A' ' 94' ' ' LEU . 5.6 mt -57.1 -24.16 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -52.03 -21.24 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.484 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -121.49 32.49 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.3 mm? -109.2 -177.62 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 p 68.29 38.17 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.472 HD11 ' O ' ' A' ' 93' ' ' SER . 0.9 OUTLIER -117.25 -160.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.61 58.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.567 HG12 HD12 ' A' ' 87' ' ' LEU . 5.3 m -71.66 156.36 91.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.509 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 174.03 13.5 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.04 147.25 33.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.534 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.96 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.9 OUTLIER -99.89 -31.14 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.2 m-85 -39.28 161.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -65.9 174.96 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.571 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 70' ' ' LYS . 11.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' SER . 15.6 m -52.87 -51.66 60.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -33.0 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -42.55 31.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.99 57.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 54.92 18.56 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.449 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 75.48 37.08 41.99 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.627 ' OD1' HG12 ' A' ' 18' ' ' VAL . 5.7 t-20 -62.42 118.8 44.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.795 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.04 -21.52 15.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.627 HG12 ' OD1' ' A' ' 16' ' ' ASN . 13.4 p -42.39 -46.9 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.66 ' CE1' ' NH2' ' A' ' 78' ' ' ARG . 6.8 m-85 -65.19 -37.12 86.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -57.6 -34.65 69.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -50.79 71.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 37.7 m-85 -68.66 -45.34 72.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.8 t80 -54.13 -26.65 28.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.42 -23.24 24.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -64.84 -39.65 93.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.733 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -71.64 -38.88 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -41.75 129.49 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -117.59 164.65 14.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.72 -177.51 2.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -106.11 39.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.7 HG23 ' H ' ' A' ' 33' ' ' ARG . 2.0 t -90.79 -16.73 27.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.31 1.93 82.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.573 1.171 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.7 ' H ' HG23 ' A' ' 31' ' ' THR . 0.8 OUTLIER -120.35 160.38 23.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 110.314 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.922 ' O ' HG13 ' A' ' 67' ' ' VAL . 85.4 t -81.86 119.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.69 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.5 mt -61.46 -12.22 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.705 ' H ' HG12 ' A' ' 34' ' ' VAL . . . 84.67 -56.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.66 -46.84 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.656 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -65.82 -36.05 82.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.613 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.56 -52.47 47.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.71 -24.65 66.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -69.05 -56.71 6.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.613 ' HB2' HG12 ' A' ' 26' ' ' VAL . 50.1 t80 -66.02 -28.06 68.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.56 -48.9 36.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -54.36 -23.41 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -75.4 -2.75 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 59.1 p -66.11 -71.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 161.24 -26.82 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.072 HD12 HG13 ' A' ' 80' ' ' VAL . 16.1 mt -68.21 161.89 64.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -169.92 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -92.99 -36.2 12.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.497 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -59.82 -53.47 57.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.497 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.2 mt -61.78 -35.83 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.0 mt -64.22 -52.35 59.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.11 -50.15 2.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -46.03 88.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.874 HG23 HD13 ' A' ' 79' ' ' LEU . 5.2 mt -56.49 -53.13 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' ALA . 14.3 t-105 -55.66 -57.09 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.006 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -45.3 -43.51 10.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.067 HD11 HD12 ' A' ' 91' ' ' LEU . 1.9 tm? -74.28 -31.4 62.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -72.05 -68.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' ALA . 21.1 t70 -37.7 127.25 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.79 -44.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -56.71 -47.2 80.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.8 173.55 16.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.8 tttt 72.7 -75.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 165.49 -48.7 0.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.922 HG13 ' O ' ' A' ' 34' ' ' VAL . 41.9 t -39.98 145.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.613 HD12 ' CB ' ' A' ' 39' ' ' ALA . 71.9 mt -101.35 -169.19 1.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -147.61 -163.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' HB3' HD11 ' A' ' 9' ' ' LEU . 27.5 mttt -65.36 -91.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -43.17 -50.37 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.54 -68.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.717 ' CE1' HD12 ' A' ' 77' ' ' LEU . 29.0 t80 -61.71 -35.9 79.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.5 m-85 -70.36 -8.99 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.621 HG11 HD11 ' A' ' 91' ' ' LEU . 2.2 t -93.79 -56.9 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -54.3 -26.44 29.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.819 HD22 ' NH2' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -62.81 -74.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.819 ' NH2' HD22 ' A' ' 77' ' ' LEU . 9.3 mmp_? -50.58 -41.28 54.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.874 HD13 HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -44.71 -41.44 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.072 HG13 HD12 ' A' ' 48' ' ' LEU . 71.9 t -59.88 -41.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.843 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -61.78 -19.11 62.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.54 -72.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -53.68 -24.28 13.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 2.7 mm-40 -55.71 -18.98 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.6 t-20 -115.39 20.23 14.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.31 12.1 82.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.7 mt -77.65 170.66 16.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.518 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 3.0 tp10 -52.33 169.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 24.7 t -111.06 -15.24 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' HD23 ' A' ' 94' ' ' LEU . 42.5 m -94.89 139.28 31.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.067 HD12 HD11 ' A' ' 59' ' ' LEU . 5.3 mt -51.4 -22.53 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -53.54 -20.23 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.518 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.8 29.41 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.566 ' CB ' HD23 ' A' ' 91' ' ' LEU . 3.5 mm? -108.34 -179.78 3.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.0 p 83.31 19.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.036 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.8 -161.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.7 59.13 3.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 4.0 m -64.05 142.43 98.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.843 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.02 174.71 12.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.93 148.3 35.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -165.13 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.442 1.759 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.58 -30.39 12.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.668 ' CE2' HD23 ' A' ' 77' ' ' LEU . 27.2 m-85 -38.93 161.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.41 ' CD2' ' H ' ' A' ' 104' ' ' HIS . 4.0 m-70 -65.63 143.21 57.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.1 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' SER . 14.6 p -47.89 -53.48 15.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.436 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -31.94 58.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.44 -42.82 43.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.2 56.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 57.52 16.78 3.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.433 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.3 43.08 39.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.704 ' CG ' HG12 ' A' ' 18' ' ' VAL . 10.5 t-20 -66.03 122.15 79.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.03 -19.57 17.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.704 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.0 p -43.65 -44.93 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.8 m-85 -65.87 -35.21 80.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -60.14 -34.07 73.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -58.28 -44.0 88.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -74.56 -47.23 33.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.5 t80 -53.75 -23.33 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.36 -22.51 18.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -37.59 86.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.604 HG23 ' CG2' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.04 -24.34 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.93 138.7 57.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.2 165.9 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.29 -175.41 2.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -116.02 33.47 5.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.3 p -83.57 -36.46 23.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.13 21.74 10.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.11 149.03 52.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 0.727 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.938 ' O ' HG13 ' A' ' 67' ' ' VAL . 4.6 p -101.5 110.15 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.715 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -56.6 -15.95 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.42 -47.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' ALA . 8.2 mp -38.27 -50.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.549 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -65.47 -45.24 84.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -46.65 -49.98 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -58.52 -31.12 67.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.02 -52.44 24.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.502 ' HB2' HG12 ' A' ' 26' ' ' VAL . 47.8 t80 -55.35 -46.63 76.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.2 mt -49.16 -48.67 44.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 46' ' ' SER . 2.9 mttp -50.44 -21.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.0 mttm -80.94 19.02 0.91 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 82.9 p -93.24 -75.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 168.03 -30.59 0.17 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.887 HD12 HG13 ' A' ' 80' ' ' VAL . 16.2 mt -67.17 161.71 61.16 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -168.48 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -93.08 -37.6 12.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.529 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.44 -51.38 70.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.529 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 mt -64.41 -35.04 73.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.3 mt -63.17 -55.01 28.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.69 -46.4 2.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -58.87 -45.34 90.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.524 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 8.9 mt -56.97 -56.53 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.66 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 15.8 t-105 -52.95 -53.95 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -24.91 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.886 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.5 tm? -94.49 -27.52 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -78.39 -60.45 2.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 60' ' ' ALA . 4.8 t70 -38.51 128.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -143.47 -45.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -51.87 -43.52 63.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.21 -66.53 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -41.58 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.6 -46.58 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.938 HG13 ' O ' ' A' ' 34' ' ' VAL . 46.2 t -40.89 146.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.629 ' HB2' HG11 ' A' ' 34' ' ' VAL . 26.9 mt -101.04 175.47 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.4 m -133.36 -166.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.759 ' HB3' HD11 ' A' ' 9' ' ' LEU . 16.6 mttt -64.71 -91.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.14 -51.05 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -40.12 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 40.6 t80 -60.63 -32.93 72.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.9 m-85 -72.75 -8.22 54.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 76' ' ' ALA . 1.8 t -94.78 -63.47 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.491 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -49.72 -27.02 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -57.86 -75.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -56.64 -37.37 70.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.551 ' CD1' HD12 ' A' ' 59' ' ' LEU . 2.1 tt -46.05 -43.92 14.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.887 HG13 HD12 ' A' ' 48' ' ' LEU . 4.6 t -58.09 -44.65 87.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.656 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -57.98 -23.06 52.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -70.29 -63.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.64 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -56.24 -19.72 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -5.66 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.481 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 53.2 t30 -107.88 -15.78 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.02 3.06 36.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mt -78.89 173.77 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -50.47 169.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.524 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 25.5 t -107.19 -0.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -94.67 165.36 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.886 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.4 mt -57.27 -18.98 19.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -7.18 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.172 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -95.5 -21.46 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.626 HD12 ' CD2' ' A' ' 91' ' ' LEU . 9.0 mt -77.42 -179.19 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 p 72.45 11.3 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 93' ' ' SER . 2.1 mt -114.05 -162.39 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.36 55.48 2.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 p -56.51 132.39 77.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.656 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 175.08 11.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -74.97 140.99 26.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.56 1.821 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.555 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.06 -164.29 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.83 -30.26 12.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 30.2 m-85 -38.46 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -67.03 142.99 57.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.241 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 70' ' ' LYS . 2.7 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 14' ' ' SER . 20.4 m -58.28 -47.43 83.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -32.95 58.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -47.84 -43.72 28.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.43 56.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 57.66 16.44 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.98 51.18 5.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.638 ' CG ' HG12 ' A' ' 18' ' ' VAL . 39.3 t-20 -83.57 120.53 75.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -74.99 -14.85 21.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.793 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.638 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.2 p -43.38 -36.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.657 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 5.8 m-85 -67.0 -42.17 85.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -48.69 -36.74 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -65.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 11.7 m-85 -56.61 -45.32 81.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 3.3 t80 -54.76 -28.74 50.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -86.41 -22.4 26.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -31.3 71.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.616 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -88.27 -30.9 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -48.96 144.21 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.245 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.579 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -141.15 168.15 20.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.44 171.88 1.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -92.35 22.32 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.735 HG23 ' H ' ' A' ' 33' ' ' ARG . 1.7 t -74.14 -30.12 62.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.28 7.48 82.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.735 ' H ' HG23 ' A' ' 31' ' ' THR . 3.2 mtt180 -123.97 171.5 9.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.91 ' O ' HG13 ' A' ' 67' ' ' VAL . 71.4 t -85.23 118.71 32.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.654 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.0 mt -63.01 -10.96 15.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.69 ' H ' HG12 ' A' ' 34' ' ' VAL . . . 80.6 -55.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -44.5 -50.36 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.593 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -66.81 -37.15 83.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -50.52 -46.9 57.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -64.47 -29.33 70.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -63.49 -60.42 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 52.5 t80 -66.26 -49.82 65.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.8 mt -49.38 -45.96 46.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -53.8 -23.06 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.532 ' HB3' ' CD2' ' A' ' 104' ' ' HIS . 23.1 mttm -76.59 -1.34 27.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.804 ' HB2' HG11 ' A' ' 80' ' ' VAL . 92.0 p -60.08 -70.12 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.59 -23.52 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.905 HD12 HG13 ' A' ' 80' ' ' VAL . 44.1 mt -73.29 159.72 84.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.682 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.03 -168.35 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.63 -36.0 19.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.761 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.41 -67.52 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.417 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 8.8 mm -52.32 -37.24 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 49' ' ' PRO . 12.0 mt -60.62 -51.88 67.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.93 -44.58 2.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -44.59 95.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.703 HG23 HD13 ' A' ' 79' ' ' LEU . 29.9 mt -53.71 -55.32 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 5.9 t-105 -55.08 -56.81 15.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.2 -40.5 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.692 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.9 tm? -75.98 -32.1 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.25 -61.65 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.1 t70 -38.97 126.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -174.26 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.97 -63.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.04 -130.94 5.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.35 -49.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . -110.04 12.04 31.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.445 1.091 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 34' ' ' VAL . 41.5 t -142.23 145.83 23.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 39' ' ' ALA . 35.4 mt -101.55 -167.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.66 174.71 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.82 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -46.77 -90.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -38.44 -53.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.76 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 48.4 t80 -53.35 -33.47 53.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.0 m-85 -67.12 -20.73 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 76' ' ' ALA . 1.7 t -84.72 -65.64 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.47 -28.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.953 HD23 ' CZ ' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -62.46 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.503 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -53.11 -22.34 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.873 ' HA ' HD11 ' A' ' 94' ' ' LEU . 1.2 tt -60.54 -40.24 90.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.905 HG13 HD12 ' A' ' 48' ' ' LEU . 56.0 t -56.12 -43.06 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.892 ' HB2' ' HG3' ' A' ' 101' ' ' PRO . . . -56.53 -18.26 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.0 t -72.41 -68.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -58.49 -23.37 57.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -53.45 -28.58 31.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.65 -18.62 17.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.41 11.09 20.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.82 179.47 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.404 ' HB3' ' CB ' ' A' ' 93' ' ' SER . 3.7 tt0 -57.82 170.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.519 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 3.2 t -116.04 -3.75 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.736 ' O ' HD23 ' A' ' 94' ' ' LEU . 47.9 m -94.48 151.58 19.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.692 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.5 mt -59.44 -21.33 59.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -61.63 -13.77 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.025 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.435 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -128.3 32.31 4.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.873 HD11 ' HA ' ' A' ' 79' ' ' LEU . 4.2 mm? -110.19 -177.83 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 p 65.92 37.45 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.962 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 93' ' ' SER . 6.1 mt -106.73 -156.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.4 58.75 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.0 m -75.86 157.19 84.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.33 12.96 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.81 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.88 3.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.892 ' HG3' ' HB2' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 150.99 38.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.615 ' O ' ' CD2' ' A' ' 103' ' ' PHE . 3.6 mmt180 -99.3 167.62 10.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.953 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 51.1 m-85 -168.79 179.29 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CD2' ' HB3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -82.06 169.33 16.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.617 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.787 HD22 ' CG ' ' A' ' 74' ' ' PHE . 26.0 mt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 14' ' ' SER . 1.0 OUTLIER -47.81 -53.66 14.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -31.7 58.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.3 tm? -49.3 -42.86 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.2 56.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 58.09 16.3 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.49 34.1 57.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.738 ' CG ' HG12 ' A' ' 18' ' ' VAL . 9.3 t-20 -52.92 113.62 4.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.02 -19.06 18.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.738 HG12 ' CG ' ' A' ' 16' ' ' ASN . 7.4 p -47.64 -48.66 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.69 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -67.09 -34.55 77.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -57.08 -43.4 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -45.47 -45.03 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 96.9 m-85 -69.13 -45.53 69.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.645 ' CE2' HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -54.53 -32.93 59.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' NH2' ' O ' ' A' ' 29' ' ' GLY . 1.7 tpm_? -71.59 -33.74 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -61.77 -33.78 74.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.605 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -87.71 -40.14 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.3 tt0 -60.61 141.12 57.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -106.33 160.52 15.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.411 ' O ' ' NH2' ' A' ' 24' ' ' ARG . . . 54.62 171.56 0.06 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.12 32.14 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 0.808 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.2 p -86.45 -32.65 20.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.48 29.71 8.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -124.48 130.8 53.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 67' ' ' VAL . 41.3 t -81.82 114.28 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -60.72 -11.98 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.741 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 79.62 -54.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.6 -51.13 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -66.7 -37.39 84.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.566 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.19 -48.11 62.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -26.69 68.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -72.54 -48.18 42.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.605 ' HB2' HG12 ' A' ' 26' ' ' VAL . 14.2 t80 -64.57 -42.1 95.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 46' ' ' SER . 72.8 mt -50.85 -47.35 60.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' A' ' 46' ' ' SER . 2.6 mtmt -51.44 -21.5 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -80.36 13.25 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . 60.6 p -89.46 -72.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.449 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.47 -32.84 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.863 HD12 HG13 ' A' ' 80' ' ' VAL . 8.1 mt -68.69 161.17 73.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.86 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.0 -171.63 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -89.91 -24.29 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.823 HD12 HG12 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -58.44 -79.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.823 HG12 HD12 ' A' ' 51' ' ' LEU . 2.5 mm -47.85 -35.74 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.86 HD12 ' O ' ' A' ' 49' ' ' PRO . 7.3 mt -59.5 -49.93 75.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.88 -38.54 5.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -65.25 -41.76 93.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 0.727 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.714 HG12 HD22 ' A' ' 79' ' ' LEU . 28.0 mt -57.23 -55.76 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.741 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 18.2 t-105 -55.01 -53.95 49.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 108.021 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -44.93 -42.94 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.962 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.8 tm? -78.58 -29.31 46.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.521 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -69.96 -66.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 32.3 t70 -37.8 128.04 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -156.05 -44.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -45.66 92.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.97 69.13 1.42 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.655 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -164.55 30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . 44.96 27.09 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 34' ' ' VAL . 80.7 t -136.84 143.2 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.566 HD12 ' CB ' ' A' ' 39' ' ' ALA . 22.8 mt -98.86 174.12 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.3 170.68 14.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -46.49 -87.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.07 -57.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.55 -73.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.598 ' CE1' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -49.53 -36.28 22.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.787 ' CG ' HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -71.63 -19.39 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -82.38 -56.55 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.504 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -50.8 -48.31 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 42' ' ' PHE . 2.6 mt -47.13 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.465 ' NE ' ' OH ' ' A' ' 19' ' ' TYR . 1.5 mmp_? -55.43 -31.41 61.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.714 HD22 HG12 ' A' ' 56' ' ' ILE . 2.8 tt -56.1 -42.18 76.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.863 HG13 HD12 ' A' ' 48' ' ' LEU . 86.3 t -56.26 -38.95 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.35 -15.32 57.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.9 -72.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.02 -25.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.69 -22.5 46.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -100.86 -25.26 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.72 8.43 15.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 mt -77.63 160.61 28.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.68 161.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.706 HG21 HG23 ' A' ' 52' ' ' ILE . 38.7 t -99.57 1.71 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -94.39 165.13 12.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.962 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.7 mt -56.91 -18.89 14.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.46 -8.64 27.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 58.9 p -98.66 -15.24 19.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 91' ' ' LEU . 10.0 mt -86.82 179.56 6.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.7 p 75.5 4.03 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -109.9 -167.03 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.62 71.84 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.6 m -73.11 151.63 90.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.701 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.01 174.24 13.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.1 Cg_endo -75.03 144.96 30.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.558 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.98 -163.69 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.74 -30.89 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 28.4 m-85 -39.11 161.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -68.88 172.12 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.577 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.645 ' CD2' ' CG ' ' A' ' 74' ' ' PHE . 3.9 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 14' ' ' SER . 10.2 m -48.53 -48.36 38.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -34.06 59.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.546 HD23 ' OE1' ' A' ' 71' ' ' GLN . 3.2 tm? -46.49 -44.33 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.22 57.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 58.42 15.71 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 75.43 32.17 55.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.665 ' CG ' HG12 ' A' ' 18' ' ' VAL . 7.1 t-20 -50.23 118.42 9.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.759 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -75.04 -23.8 13.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.665 HG12 ' CG ' ' A' ' 16' ' ' ASN . 12.3 p -41.83 -50.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CZ ' ' NH1' ' A' ' 78' ' ' ARG . 4.5 m-85 -65.32 -34.42 78.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -55.23 -35.18 64.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -43.66 84.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -74.69 -47.18 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 t80 -54.59 -22.01 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -23.17 19.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.48 -38.53 87.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.56 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -76.03 -42.5 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.07 143.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.433 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -112.92 132.4 55.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 -169.91 44.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.03 46.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 p -105.35 -20.02 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.407 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.57 4.51 85.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -101.71 130.5 48.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.763 ' O ' HG13 ' A' ' 67' ' ' VAL . 92.6 t -84.61 106.93 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.7 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.2 mt -55.83 -17.16 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.36 -51.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ALA . 2.3 mp -40.06 -49.8 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.611 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -67.25 -42.04 84.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.518 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -46.54 -51.78 14.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -59.8 -30.19 68.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -66.22 -52.85 43.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.447 ' HB2' HG12 ' A' ' 26' ' ' VAL . 34.9 t80 -64.98 -37.52 87.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 40' ' ' ALA . 54.2 mt -55.91 -49.66 72.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.455 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -48.25 -23.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -81.48 23.75 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.509 ' HB2' HG11 ' A' ' 80' ' ' VAL . 84.8 p -92.78 -77.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 161.08 -28.47 0.3 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.061 HD12 HG13 ' A' ' 80' ' ' VAL . 12.9 mt -67.31 161.65 62.41 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.431 0.724 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.54 -35.93 63.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.8 -62.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.96 HG23 HG21 ' A' ' 89' ' ' VAL . 5.7 mm -56.68 -35.79 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.684 HD23 HD12 ' A' ' 56' ' ' ILE . 11.5 mt -62.1 -51.52 67.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.48 -37.94 3.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -41.03 91.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.692 HG12 HD22 ' A' ' 79' ' ' LEU . 36.7 mt -56.89 -56.46 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.676 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 16.3 t-105 -55.61 -55.96 25.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -47.91 -31.49 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.69 HD11 HD12 ' A' ' 91' ' ' LEU . 2.3 tm? -86.93 -29.35 22.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -75.7 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' TRP . 33.5 t70 -37.41 125.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -153.02 -44.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -61.55 -44.15 97.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.8 177.37 22.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt 74.69 -62.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 153.03 -50.14 0.51 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 34' ' ' VAL . 19.2 t -39.47 150.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.518 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 82.8 mt -101.83 163.27 12.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -109.31 -161.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -68.81 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.546 ' OE1' HD23 ' A' ' 12' ' ' LEU . 2.6 mm-40 -45.43 -34.07 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.01 -71.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 8.1 t80 -57.44 -48.61 78.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.645 ' CG ' ' CD2' ' A' ' 9' ' ' LEU . 1.7 m-85 -54.44 -25.94 27.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -75.48 -58.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.516 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -46.37 -27.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.714 HD23 ' CE2' ' A' ' 103' ' ' PHE . 1.9 mt -63.38 -77.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.646 ' NH1' ' CZ ' ' A' ' 19' ' ' TYR . 7.3 mmp_? -49.67 -38.41 32.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.789 HD21 ' O ' ' A' ' 89' ' ' VAL . 0.8 OUTLIER -46.37 -50.81 16.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.061 HG13 HD12 ' A' ' 48' ' ' LEU . 10.3 t -61.76 -45.64 98.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.611 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -56.11 -27.02 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.463 ' CA ' HG23 ' A' ' 98' ' ' VAL . 3.4 t -74.69 -63.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 108.302 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.84 -18.46 44.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 1.9 mm-40 -60.39 -13.86 15.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.3 t-20 -99.88 -10.56 21.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.7 4.24 49.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.81 174.31 11.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.485 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -43.83 166.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.96 HG21 HG23 ' A' ' 52' ' ' ILE . 34.3 t -115.02 -10.17 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.773 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -94.67 154.58 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.69 HD12 HD11 ' A' ' 59' ' ' LEU . 8.1 mt -65.76 -24.81 67.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -56.41 -17.63 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.485 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -124.22 30.44 6.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 90' ' ' SER . 3.4 mm? -102.18 -175.74 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 p 73.05 34.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -116.87 -159.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.96 55.68 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.463 HG23 ' CA ' ' A' ' 82' ' ' CYS . 1.4 p -57.95 118.77 28.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.611 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -74.93 139.2 24.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.575 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.05 -164.39 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.85 -30.25 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.714 ' CE2' HD23 ' A' ' 77' ' ' LEU . 30.2 m-85 -38.6 161.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -70.42 174.0 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.57 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.1 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 14' ' ' SER . 24.9 m -54.99 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -34.58 72.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -44.5 -42.58 7.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.416 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -165.15 61.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 41.96 28.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.82 48.82 39.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.597 ' CG ' HG12 ' A' ' 18' ' ' VAL . 18.3 t-20 -85.14 115.59 61.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.19 9.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.597 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.2 p -58.86 -39.78 78.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.627 ' CE2' HD13 ' A' ' 77' ' ' LEU . 14.2 m-85 -66.18 -33.38 75.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -33.76 58.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -37.84 86.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' OH ' ' CB ' ' A' ' 105' ' ' ASP . 22.2 m-85 -78.61 -47.5 17.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 1.2 t80 -54.24 -24.3 18.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.57 -22.29 18.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.73 -37.06 82.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -81.52 -26.03 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.0 143.29 8.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -120.44 145.51 47.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.01 -174.8 55.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.44 41.91 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.0 p -104.77 -26.08 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.89 31.79 19.76 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 mtt85 -125.67 137.66 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.829 ' O ' HG13 ' A' ' 67' ' ' VAL . 69.5 t -81.9 103.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.718 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.1 mt -53.39 -17.74 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 86.49 -54.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mp -42.6 -54.34 4.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.647 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 1.5 m-20 -58.27 -42.97 87.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.592 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -47.47 -52.19 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.13 49.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -71.0 -55.35 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.513 ' HB2' HG12 ' A' ' 26' ' ' VAL . 51.2 t80 -58.72 -34.44 71.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.66 -45.45 71.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -53.09 -19.49 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -75.65 -1.04 22.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 45.0 p -67.95 -56.58 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.98 -33.43 2.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 6.2 mp -63.79 165.23 13.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.9 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.0 -25.66 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -60.33 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.475 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.5 mm -54.97 -35.97 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.61 HD23 HD12 ' A' ' 56' ' ' ILE . 7.9 mt -63.77 -47.93 79.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.93 -43.11 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -42.4 98.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.984 HG12 HD22 ' A' ' 79' ' ' LEU . 15.2 mt -57.39 -58.0 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.643 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 33.5 t-105 -56.3 -53.58 55.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -43.45 -50.05 7.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.049 HD12 HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -74.86 -27.46 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -63.04 -58.86 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ALA . 36.4 t70 -38.63 126.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -152.14 -45.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.45 -51.94 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.85 66.74 0.84 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.44 -60.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' VAL . . . 157.93 -64.26 0.3 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 34' ' ' VAL . 42.5 t -40.29 146.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.592 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 23.3 mt -100.75 169.22 9.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 m -125.91 -174.73 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.845 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.8 mtmm -55.11 -88.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -42.78 -50.99 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.43 -72.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.4 t80 -56.91 -43.44 81.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.7 m-85 -59.96 -17.04 35.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -88.89 -54.46 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.679 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -46.95 -28.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.627 HD13 ' CE2' ' A' ' 19' ' ' TYR . 2.5 mt -60.91 -77.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.725 HH21 ' CG ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -49.94 -38.15 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.049 HD11 HD12 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -46.36 -48.48 18.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 76' ' ' ALA . 86.8 t -61.59 -40.88 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.65 -19.41 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -69.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.92 -22.59 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.454 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.0 mm-40 -54.64 -29.28 51.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -100.89 -17.43 16.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.56 10.34 10.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.1 mt -77.4 153.96 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -44.09 167.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.522 ' O ' HD21 ' A' ' 79' ' ' LEU . 4.1 t -110.28 -5.9 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.643 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.2 m -95.0 155.81 16.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.668 HD12 HD21 ' A' ' 59' ' ' LEU . 5.1 mt -62.57 -21.71 65.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.6 m -57.74 -16.54 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.449 ' CB ' ' HB3' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -122.33 28.27 7.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.92 -175.33 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 3.7 p 77.95 21.7 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.7 -164.31 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.5 63.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' A' ' 78' ' ' ARG . 3.1 m -47.6 147.36 3.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.612 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 176.28 10.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.4 Cg_endo -74.99 128.44 11.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.725 ' CG ' HH21 ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.11 -30.38 12.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.6 m-85 -42.03 167.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -65.46 172.81 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.601 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.427 ' CB ' ' OH ' ' A' ' 22' ' ' TYR . 1.1 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.843 HD11 ' HB3' ' A' ' 70' ' ' LYS . 4.1 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.488 ' HA ' ' CA ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -56.43 -40.6 75.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -77.0 -37.82 54.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -45.15 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.45 58.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 55.57 21.28 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.488 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 70.06 51.34 23.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.757 ' CG ' HG12 ' A' ' 18' ' ' VAL . 37.7 t-20 -75.82 126.63 86.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.25 9.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.757 HG12 ' CG ' ' A' ' 16' ' ' ASN . 9.1 p -59.96 -46.05 94.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.0 m-30 -66.63 -33.63 76.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -35.43 68.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.568 ' HG2' ' CD2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -58.17 -44.0 87.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 97.9 m-85 -74.88 -50.45 16.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -50.39 -23.56 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -25.37 19.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.2 mt-30 -61.68 -39.9 93.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -76.52 -41.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.19 140.91 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.71 143.9 49.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.53 -171.08 47.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -122.22 49.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -107.55 -28.92 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.97 27.81 17.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -129.12 143.34 50.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 0.8 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.964 ' O ' HG13 ' A' ' 67' ' ' VAL . 59.9 t -86.38 115.85 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.609 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.1 mt -64.9 -10.55 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.82 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 77.96 -55.22 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -41.6 -42.72 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -74.54 -40.68 61.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.71 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.21 -43.97 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.481 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -69.43 -28.25 65.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -68.47 -46.61 69.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.553 ' HB2' HG12 ' A' ' 26' ' ' VAL . 77.8 t80 -64.77 -34.9 79.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 40' ' ' ALA . 72.1 mt -59.09 -48.17 82.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' A' ' 46' ' ' SER . 3.2 mmmt -51.02 -21.27 1.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -80.45 15.17 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' LEU . 49.0 p -93.53 -67.14 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 149.84 -34.61 1.03 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.797 HD12 HG13 ' A' ' 80' ' ' VAL . 5.0 mt -58.75 162.54 6.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.447 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -85.66 -36.48 20.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.517 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.26 -51.14 71.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.532 HG21 HD22 ' A' ' 48' ' ' LEU . 2.7 mm -63.0 -35.81 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ILE . 2.9 mt -64.98 -52.46 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.1 -48.31 2.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -58.25 -47.33 83.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.762 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.499 HG23 HD13 ' A' ' 79' ' ' LEU . 60.3 mt -53.74 -54.88 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.82 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 23.4 t-105 -55.31 -57.88 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -46.57 -38.77 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.703 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.5 tm? -76.66 -32.12 57.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -67.24 -55.76 12.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -37.62 130.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -172.81 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.366 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.61 -66.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.28 128.33 1.83 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.4 151.25 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.501 ' C ' HG23 ' A' ' 67' ' ' VAL . . . 88.9 -7.46 82.05 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.964 HG13 ' O ' ' A' ' 34' ' ' VAL . 65.6 t -156.52 143.85 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.71 HD12 ' CB ' ' A' ' 39' ' ' ALA . 26.0 mt -99.62 177.5 5.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.3 m -134.08 -167.95 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.843 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -62.77 -95.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.583 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.38 -47.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 60' ' ' ALA . 1.1 mt-10 -40.43 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.7 t80 -58.43 -42.77 88.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.632 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.2 m-85 -63.98 -11.28 27.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.1 t -95.18 -58.41 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.882 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -49.8 -24.59 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD23 ' CE2' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -61.9 -71.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.492 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.1 mmp_? -59.49 -34.94 73.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.703 ' CD1' HD12 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -52.63 -38.51 60.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 76' ' ' ALA . 54.8 t -61.3 -38.4 79.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -10.86 48.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.6 t -74.71 -66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.29 -19.2 44.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.458 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.4 mm-40 -62.4 -27.79 69.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 37.8 t30 -99.87 -12.42 19.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.79 8.46 42.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.598 HD13 HG12 ' A' ' 98' ' ' VAL . 9.1 mt -77.92 172.67 13.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.747 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.508 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -49.36 170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.503 ' O ' HD21 ' A' ' 79' ' ' LEU . 3.4 t -112.02 -15.38 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.669 ' O ' HD23 ' A' ' 94' ' ' LEU . 5.8 m -94.7 150.85 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.731 ' HA ' HD23 ' A' ' 94' ' ' LEU . 5.4 mt -57.59 -23.15 49.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m -52.12 -20.71 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.508 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -124.4 35.66 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.4 mm? -111.3 -178.94 3.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p 74.56 34.21 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.16 -162.46 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.77 74.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.598 HG12 HD13 ' A' ' 87' ' ' LEU . 19.9 m -84.39 156.82 62.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.468 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.4 Cg_endo -75.0 174.26 13.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.98 144.73 30.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.53 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.98 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.64 -31.05 11.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.3 m-85 -39.41 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -74.6 172.11 12.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.591 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 70' ' ' LYS . 5.4 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' SER . 71.1 p -47.36 -55.66 8.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -32.29 59.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -48.88 -42.9 38.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.4 57.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 57.27 16.88 3.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.67 36.2 53.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.678 ' CG ' HG12 ' A' ' 18' ' ' VAL . 7.7 t-20 -58.12 110.43 2.55 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.98 -19.04 18.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.678 HG12 ' CG ' ' A' ' 16' ' ' ASN . 5.6 p -44.07 -41.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.677 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -67.21 -39.07 86.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -50.47 -37.74 40.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.517 ' HG3' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -51.55 -40.08 59.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 19' ' ' TYR . 12.4 m-85 -74.56 -43.53 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -54.59 -34.27 61.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.63 -26.33 41.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -37.9 89.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.695 ' CG2' HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -78.14 -30.47 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -47.23 129.61 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.46 167.43 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 173.91 23.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -95.93 32.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.763 HG23 ' H ' ' A' ' 33' ' ' ARG . 1.8 t -95.18 -32.89 12.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.24 7.15 80.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.763 ' H ' HG23 ' A' ' 31' ' ' THR . 5.9 mtt-85 -113.7 171.87 7.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.938 ' O ' HG13 ' A' ' 67' ' ' VAL . 5.7 t -89.43 110.14 21.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.697 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.6 mt -62.15 -11.64 15.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 83.8 -55.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -44.87 -42.11 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -72.31 -36.16 68.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.675 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -52.44 -53.52 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -62.36 -25.61 68.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -71.29 -45.93 61.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.632 ' HB2' HG12 ' A' ' 26' ' ' VAL . 20.2 t80 -71.08 -28.21 64.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' SER . 71.0 mt -70.17 -46.0 65.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.55 -21.24 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -73.82 -2.67 24.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.735 ' HB2' HG11 ' A' ' 80' ' ' VAL . 97.1 p -68.76 -75.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.05 -24.13 0.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.717 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 9.1 mt -62.6 164.63 11.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.753 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -166.48 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.06 -35.81 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.502 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.05 -52.86 63.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.603 HG21 ' HB1' ' A' ' 83' ' ' ALA . 1.6 mt -66.12 -33.29 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 56' ' ' ILE . 5.3 mt -65.24 -46.64 79.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.93 -41.66 28.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HB2' HG11 ' A' ' 89' ' ' VAL . 11.0 mttm -61.6 -42.59 99.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.552 HG23 HD13 ' A' ' 79' ' ' LEU . 53.4 mt -57.03 -58.49 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.66 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 31.5 t-105 -55.18 -50.69 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -42.4 -49.34 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.976 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -78.76 -26.98 44.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -61.67 -58.18 9.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ALA . 10.1 t0 -38.42 127.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -161.63 -42.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -53.99 18.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.58 64.68 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt 173.05 -41.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 139.31 -54.6 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.938 HG13 ' O ' ' A' ' 34' ' ' VAL . 39.7 t -43.73 146.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.675 HD12 ' CB ' ' A' ' 39' ' ' ALA . 27.2 mt -99.94 168.71 9.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -121.29 -160.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.961 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HB3' HD11 ' A' ' 9' ' ' LEU . 12.4 mttp -73.74 -81.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -48.06 -52.86 18.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -40.05 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.668 ' CE1' HD12 ' A' ' 77' ' ' LEU . 2.2 t80 -54.11 -35.82 62.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.677 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 1.3 m-85 -73.48 -11.66 60.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.652 HG11 HD11 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -90.72 -59.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.487 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -51.05 -41.35 59.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.668 HD12 ' CE1' ' A' ' 73' ' ' PHE . 3.0 mt -52.86 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.474 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.6 OUTLIER -51.63 -35.5 42.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.552 HD13 HG23 ' A' ' 56' ' ' ILE . 1.2 tt -51.26 -44.4 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.735 HG11 ' HB2' ' A' ' 46' ' ' SER . 53.1 t -50.41 -49.63 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.645 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -54.94 -21.18 10.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.7 t -71.73 -73.37 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 108.261 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.717 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -52.41 -22.23 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -61.12 -23.93 65.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -112.69 19.39 17.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.34 15.11 77.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.863 HD13 HG12 ' A' ' 98' ' ' VAL . 25.5 mt -77.97 168.54 19.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.506 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -50.26 168.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 55' ' ' LYS . 3.4 t -112.9 -13.69 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.687 ' O ' HD23 ' A' ' 94' ' ' LEU . 49.1 m -94.73 149.83 20.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.657 ' HA ' HD23 ' A' ' 94' ' ' LEU . 6.2 mt -59.37 -24.6 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.8 t -51.98 -23.1 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.622 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -118.72 32.17 6.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.048 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.27 -179.1 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.4 p 73.37 31.33 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.622 HD11 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -112.33 -164.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.76 57.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.863 HG12 HD13 ' A' ' 87' ' ' LEU . 20.2 m -68.07 157.48 86.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.645 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 174.05 13.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.01 145.52 31.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.502 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.02 -163.01 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.72 -30.96 11.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.2 m-85 -39.42 161.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.8 140.56 58.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 70' ' ' LYS . 7.0 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' GLY . 4.8 m -47.77 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.09 -31.49 67.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.506 ' HA ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -59.93 -15.0 18.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.576 ' OG ' ' CE1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -148.52 24.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 51.98 20.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 96.08 51.94 1.69 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.496 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 6.0 t-20 -129.2 102.36 18.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.99 -13.02 21.56 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -42.76 -29.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.627 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.6 m-85 -66.72 -45.93 77.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -49.94 -32.4 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -59.03 -45.79 89.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.42 -46.99 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.2 t80 -54.05 -23.61 14.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.14 -22.36 19.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.27 -36.44 82.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.708 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -75.8 -33.7 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -38.45 148.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -123.73 129.01 50.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.48 -171.29 54.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -105.61 38.55 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.822 HG23 ' H ' ' A' ' 33' ' ' ARG . 5.3 t -91.11 -22.25 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.31 -0.95 83.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.822 ' H ' HG23 ' A' ' 31' ' ' THR . 6.4 mtt180 -108.37 142.94 37.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.918 ' O ' HG13 ' A' ' 67' ' ' VAL . 95.3 t -82.79 115.57 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.708 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -61.26 -12.53 13.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 84.96 -56.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -41.74 -44.2 3.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -69.04 -42.86 75.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.541 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -49.69 -43.91 47.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.57 68.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.72 -49.35 47.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.467 ' HB2' HG12 ' A' ' 26' ' ' VAL . 70.8 t80 -63.84 -39.54 94.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' SER . 64.5 mt -55.95 -47.95 76.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.459 ' C ' ' H ' ' A' ' 46' ' ' SER . 8.6 mmtt -46.76 -24.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 43' ' ' LEU . 14.4 mttm -81.17 25.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 44' ' ' LYS . 56.5 p -96.25 -71.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 148.96 -23.55 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.028 HD12 HG13 ' A' ' 80' ' ' VAL . 13.6 mt -72.74 160.8 81.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.78 12.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.784 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -75.36 -33.49 61.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.61 -62.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.473 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.7 mm -55.6 -36.86 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.0 mt -61.37 -52.97 62.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.02 -44.47 2.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' HB2' HG11 ' A' ' 89' ' ' VAL . 8.1 mttt -60.61 -47.13 87.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.862 HG12 HD22 ' A' ' 79' ' ' LEU . 14.9 mt -52.92 -56.16 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' ALA . 21.6 t-105 -55.49 -56.49 19.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 107.966 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.51 -46.14 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.94 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.7 tm? -72.77 -31.57 64.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -68.87 -67.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' ALA . 19.9 t70 -38.23 126.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.4 m -160.15 -44.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -48.87 -49.37 39.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.77 -56.03 0.71 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 142.25 33.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -40.16 -46.53 3.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.918 HG13 ' O ' ' A' ' 34' ' ' VAL . 36.2 t -40.15 146.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.541 HD12 ' CB ' ' A' ' 39' ' ' ALA . 29.7 mt -100.38 -179.2 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.86 162.05 35.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.644 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -41.39 -86.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.505 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -42.36 -53.33 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -40.02 -72.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.5 t80 -51.54 -43.29 62.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.627 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -57.53 -33.33 67.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 t -71.65 -53.08 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.06 20.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.29 -72.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.65 HH21 ' CG ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -53.8 -41.91 67.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.862 HD22 HG12 ' A' ' 56' ' ' ILE . 1.1 tt -42.54 -43.47 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.028 HG13 HD12 ' A' ' 48' ' ' LEU . 41.7 t -59.85 -50.74 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.63 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.45 -21.56 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -67.28 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.96 50.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.55 ' HG2' HD11 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -69.1 -7.34 35.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 5.6 t30 -112.93 -31.04 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.47 2.2 7.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.19 145.52 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.92 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.473 ' O ' HD21 ' A' ' 79' ' ' LEU . 12.0 t -94.78 -2.7 10.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.514 ' O ' HD23 ' A' ' 94' ' ' LEU . 3.2 m -94.53 160.26 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.94 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.5 mt -55.4 -21.97 17.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.63 -22.09 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.453 ' C ' HD22 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -116.02 29.52 7.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.61 ' CB ' HD23 ' A' ' 91' ' ' LEU . 4.6 mm? -117.15 177.51 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER 78.58 10.97 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.937 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -166.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.73 57.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.475 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 8.6 m -40.4 151.1 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.63 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.97 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.3 Cg_endo -74.96 129.13 12.08 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.416 1.746 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.65 ' CG ' HH21 ' A' ' 78' ' ' ARG . 18.5 Cg_endo -74.98 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.04 -30.1 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 34.5 m-85 -38.61 161.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 105' ' ' ASP . 79.3 t60 -69.96 170.9 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.657 ' CD2' ' CD1' ' A' ' 74' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.1 m -46.71 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -30.09 63.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.945 HD21 HG23 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -58.43 -15.74 12.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.504 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -148.06 25.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.81 18.14 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 92.86 49.37 2.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.614 ' CG ' HG12 ' A' ' 18' ' ' VAL . 7.6 t-20 -110.67 100.66 46.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.1 Cg_endo -75.04 -16.98 19.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.614 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.2 p -42.67 -37.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.827 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -65.43 -44.16 88.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -45.5 -34.9 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -44.29 95.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 22.6 m-85 -75.27 -41.85 56.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 13.3 t80 -54.01 -34.1 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -80.26 -27.72 38.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.06 77.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.522 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -84.19 -41.29 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -38.83 115.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.9 113.35 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.59 -166.15 1.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -92.64 34.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -62.27 -43.22 99.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.63 0.8 30.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.81 141.66 46.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.734 ' O ' HG13 ' A' ' 67' ' ' VAL . 11.2 t -83.65 105.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -57.69 -15.65 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.759 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 85.98 -51.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' ALA . 4.1 mm? -38.5 -47.07 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -71.7 -44.7 63.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -46.28 -48.47 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -62.08 -32.42 72.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -65.84 -54.13 30.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.522 ' HB2' HG12 ' A' ' 26' ' ' VAL . 4.8 t80 -59.1 -46.07 89.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 40' ' ' ALA . 33.8 mt -48.23 -48.64 34.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -48.3 -22.9 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -81.12 26.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.686 ' HB2' HG11 ' A' ' 80' ' ' VAL . 60.0 p -97.07 -73.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 158.97 -34.81 0.49 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.952 HD12 HG13 ' A' ' 80' ' ' VAL . 7.8 mt -57.96 163.49 4.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.449 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.96 -168.87 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.39 -37.62 11.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.553 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.9 -53.09 61.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.553 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.8 mm -63.68 -34.59 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 49' ' ' PRO . 4.5 mt -64.87 -50.04 68.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.5 -42.94 4.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.65 ' HB2' HG11 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -65.78 -41.06 92.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.771 HG13 HG13 ' A' ' 89' ' ' VAL . 2.8 mt -57.37 -56.25 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.759 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 43.6 t-105 -55.74 -54.72 40.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -43.81 -47.56 8.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.527 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.3 tm? -64.97 -35.82 82.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.77 -61.29 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' ALA . 43.0 t0 -36.61 126.05 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -161.16 -43.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -48.72 -56.95 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.75 65.28 0.67 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 pttt 179.77 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 132.42 -56.87 0.73 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 34' ' ' VAL . 18.3 t -39.36 152.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.452 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 23.7 mt -99.31 164.91 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -108.11 -148.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.495 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.0 mttt -88.04 -97.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 75' ' ' VAL . 51.0 mt-30 -45.27 -29.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.05 -71.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 2.6 t80 -48.93 -45.66 41.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CD1' ' CD2' ' A' ' 9' ' ' LEU . 2.0 m-85 -63.6 -24.19 67.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.945 HG23 HD21 ' A' ' 12' ' ' LEU . 1.2 t -74.87 -57.49 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.578 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -49.41 -46.79 47.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.827 HD13 ' CZ ' ' A' ' 19' ' ' TYR . 2.8 mt -49.37 -70.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.489 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -51.98 -34.96 44.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.621 HD22 HG12 ' A' ' 56' ' ' ILE . 2.2 tt -52.83 -41.23 64.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.952 HG13 HD12 ' A' ' 48' ' ' LEU . 77.5 t -53.43 -48.8 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -54.89 -20.13 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.4 t -73.56 -74.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -52.81 -21.83 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -59.45 -27.26 65.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 3.0 t-20 -108.28 16.59 23.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.55 17.0 79.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.57 ' CD1' HG12 ' A' ' 98' ' ' VAL . 96.6 mt -78.47 174.15 11.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 0.796 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.544 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -57.45 166.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.771 HG13 HG13 ' A' ' 56' ' ' ILE . 21.7 t -108.48 -15.18 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.679 ' O ' HD23 ' A' ' 94' ' ' LEU . 66.2 m -94.83 150.05 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.673 ' HA ' HD23 ' A' ' 94' ' ' LEU . 6.0 mt -60.0 -24.92 64.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 m -51.55 -21.49 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.544 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -120.24 33.41 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 90' ' ' SER . 4.5 mm? -113.67 -179.97 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.3 p 78.18 25.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.431 HD11 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -109.04 -162.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.79 65.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.57 HG12 ' CD1' ' A' ' 87' ' ' LEU . 10.0 m -74.51 156.89 86.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.701 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 174.17 13.24 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.02 145.74 31.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.576 1.829 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.99 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.782 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -101.7 -30.96 11.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 27.2 m-85 -38.92 161.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -66.09 167.21 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.961 HD22 ' CG ' ' A' ' 74' ' ' PHE . 21.4 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLY . 6.0 m -47.12 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -32.14 66.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -59.98 -14.88 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.51 30.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 45.5 25.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.016 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 91.53 57.18 1.57 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.52 ' CG ' HG12 ' A' ' 18' ' ' VAL . 8.2 t-20 -130.91 95.18 26.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -74.98 -8.38 20.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.52 HG12 ' CG ' ' A' ' 16' ' ' ASN . 7.7 p -41.42 -35.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.663 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -65.99 -45.86 80.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 111.024 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -43.54 -38.3 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.66 -42.69 68.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 14.0 m-85 -73.35 -41.79 63.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.652 ' CE2' ' CG2' ' A' ' 34' ' ' VAL . 1.1 t80 -53.96 -38.99 65.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -33.28 71.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -61.74 -40.54 95.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 HG13 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -83.64 -19.72 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.7 tt0 -62.4 141.03 58.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.983 ' CB ' HD12 ' A' ' 35' ' ' LEU . . . -119.97 164.92 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.9 -169.13 46.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.67 27.26 7.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 33' ' ' ARG . 4.3 t -98.83 -25.9 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.82 12.41 40.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HB2' ' CG2' ' A' ' 31' ' ' THR . 8.1 mtp180 -99.68 147.47 25.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 0.762 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.932 ' O ' HG13 ' A' ' 67' ' ' VAL . 3.1 t -88.15 116.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.983 HD12 ' CB ' ' A' ' 28' ' ' ALA . 1.7 mt -61.12 -11.95 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 75.79 -56.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.82 -51.24 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.586 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -60.73 -35.33 76.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -57.17 -50.4 72.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.537 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -57.94 -23.57 54.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -76.05 -53.84 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 6.1 t80 -59.93 -36.73 77.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 40' ' ' ALA . 57.6 mt -55.47 -47.07 76.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -51.19 -20.83 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.2 mttm -80.22 13.7 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LEU . 57.8 p -89.27 -71.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 152.36 -26.17 0.87 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.998 HD12 HG13 ' A' ' 80' ' ' VAL . 10.4 mt -68.17 162.51 59.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.414 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.01 -171.67 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.52 -37.84 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.542 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -58.97 -51.8 68.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.542 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 2.3 mm -63.75 -35.46 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.3 mt -63.19 -54.14 42.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.12 -42.37 2.33 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.454 1.097 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.715 ' HB2' HG11 ' A' ' 89' ' ' VAL . 1.9 mmtt -60.12 -46.3 90.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.484 HG13 ' CG1' ' A' ' 89' ' ' VAL . 24.0 mt -53.54 -57.29 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.574 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 11.8 t-105 -55.11 -55.47 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.08 -30.51 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.818 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.4 tm? -87.94 -28.89 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -76.08 -62.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' ALA . 2.0 t70 -38.32 126.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -163.1 -42.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -49.47 -53.28 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.37 65.13 0.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 178.36 173.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . -91.53 29.36 7.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 34' ' ' VAL . 57.4 t -133.33 144.06 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.418 HD21 ' CZ2' ' A' ' 57' ' ' TRP . 21.9 mt -99.46 171.78 7.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -115.86 -152.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.704 ' C ' HD21 ' A' ' 9' ' ' LEU . 12.3 mttt -87.23 -80.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' N ' HD21 ' A' ' 9' ' ' LEU . 28.6 mt-30 -51.26 -27.7 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -75.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 8.2 t80 -50.56 -26.1 4.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.961 ' CG ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -76.45 -28.58 56.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.68 -54.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.34 -52.73 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.566 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 3.3 mt -46.68 -67.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.466 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.8 OUTLIER -52.68 -29.53 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.818 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.1 tt -58.1 -42.41 85.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.998 HG13 HD12 ' A' ' 48' ' ' LEU . 71.6 t -53.75 -41.07 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.9 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -58.13 -23.56 55.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.49 -63.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.574 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -51.93 -21.92 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -69.04 -17.14 63.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.6 t30 -100.85 -15.09 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.56 6.16 53.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.72 166.86 22.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.62 165.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 55' ' ' LYS . 33.4 t -99.89 -5.54 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.472 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.6 m -94.59 152.39 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.633 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.9 mt -59.88 -22.33 62.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -17.44 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.627 ' O ' HD11 ' A' ' 96' ' ' LEU . 82.8 p -106.76 -15.03 14.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.581 ' HB2' HD23 ' A' ' 91' ' ' LEU . 2.2 mm? -73.63 -178.91 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.9 t 86.42 20.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.627 HD11 ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -118.15 -164.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.39 58.24 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 m -53.82 143.13 41.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.9 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.0 174.51 12.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -74.95 145.31 31.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.574 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.03 -164.69 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.67 -30.22 12.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 30.3 m-85 -38.73 161.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.42 ' CD2' ' H ' ' A' ' 105' ' ' ASP . 6.2 t-160 -66.21 173.81 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.42 ' H ' ' CD2' ' A' ' 104' ' ' HIS . 1.3 t0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.806 HD22 ' CG ' ' A' ' 74' ' ' PHE . 4.9 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.1 m -47.48 -61.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.5 -31.4 63.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.72 -44.21 48.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.51 57.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 58.1 16.39 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 71.43 41.07 59.12 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.521 ' CG ' HG12 ' A' ' 18' ' ' VAL . 4.2 t-20 -62.87 124.58 84.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.784 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.97 -23.01 14.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.521 HG12 ' CG ' ' A' ' 16' ' ' ASN . 2.6 p -40.35 -49.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 29.0 m-85 -66.27 -36.67 83.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -52.73 -39.36 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -62.81 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -58.11 -47.58 82.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.661 ' CZ ' HG23 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -54.14 -26.63 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -31.87 59.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -33.36 74.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.721 HG23 HG13 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -88.14 -13.29 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -77.93 121.76 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.401 ' HB2' HD12 ' A' ' 35' ' ' LEU . . . -58.21 99.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.31 -165.34 31.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -92.56 34.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.7 p -64.67 -48.78 73.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.76 -10.31 14.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -119.09 132.93 56.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.839 ' O ' HG13 ' A' ' 67' ' ' VAL . 51.7 t -82.21 114.21 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.707 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -56.95 -16.13 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.742 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 84.54 -52.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.55 -53.7 5.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.713 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -59.64 -34.69 73.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -49.51 -57.0 7.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.688 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -56.89 -25.83 57.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -68.43 -56.42 8.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.507 ' O ' ' CG ' ' A' ' 45' ' ' LYS . 2.1 t80 -63.15 -40.68 98.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 40' ' ' ALA . 41.8 mt -48.11 -46.14 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -25.04 2.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 4.0 mmmt -62.52 -14.09 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.427 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 97.3 p -69.74 -76.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.67 -17.73 1.45 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.994 HD12 HG13 ' A' ' 80' ' ' VAL . 12.1 mt -68.9 162.98 60.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.97 23.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.9 -33.55 45.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.55 -65.45 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -52.86 -37.24 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 6.3 mt -62.36 -50.78 70.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.51 -44.32 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -47.11 87.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.667 ' CG1' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -56.47 -53.89 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.658 ' HZ3' ' HB2' ' A' ' 40' ' ' ALA . 1.7 t90 -55.3 -55.6 29.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -39.51 29.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.997 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -76.42 -27.41 56.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -79.22 -69.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' TRP . 2.7 t70 -39.83 146.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -164.86 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.367 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.55 -50.97 71.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.59 -174.84 15.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tttt 71.56 -61.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 157.35 -54.53 0.39 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.839 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.2 t -39.21 149.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 87.6 mt -100.18 174.31 6.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -168.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' C ' HD21 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -71.77 -82.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 1.0 OUTLIER -53.84 -34.2 58.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 3.3 mt-10 -46.87 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 2.0 t80 -52.69 -46.1 67.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.806 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.5 m-85 -57.92 -27.9 63.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.0 t -77.6 -59.76 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.77 -27.41 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.541 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 1.2 mt -65.88 -75.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -51.11 -28.64 11.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.76 HD11 HD12 ' A' ' 59' ' ' LEU . 1.1 tt -55.37 -46.72 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.994 HG13 HD12 ' A' ' 48' ' ' LEU . 8.6 t -52.49 -40.91 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -58.98 -16.96 20.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -80.16 -65.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.06 -23.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.68 -26.31 68.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 17.6 t-20 -100.84 10.64 40.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.14 14.15 80.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.9 mt -77.75 159.67 28.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' OG ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -42.04 164.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 56' ' ' ILE . 16.8 t -105.52 2.1 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -94.12 164.29 13.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.856 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.8 mt -59.69 -22.46 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 t -68.07 -6.08 20.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.475 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -97.55 -11.3 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 94' ' ' LEU . 10.3 mt -92.12 178.44 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.3 p 79.3 10.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -112.84 -168.17 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.6 61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 m -67.22 154.67 92.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.73 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.04 174.54 12.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -75.02 147.69 34.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.491 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.01 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -99.46 -30.82 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.541 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.6 m-85 -39.03 161.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.81 166.14 11.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.5 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.8 m -56.36 -64.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -30.22 65.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.708 HD11 ' O ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -51.89 -21.41 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -149.27 44.37 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.49 28.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 88.71 58.16 1.75 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.132 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 13' ' ' SER . 8.3 t-20 -134.23 104.6 11.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -1.05 10.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.558 1.82 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.2 p -48.87 -27.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.638 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.1 m-85 -66.97 -38.83 86.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -40.14 69.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -53.57 -44.76 69.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -74.78 -43.61 53.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.8 ' CE1' HG21 ' A' ' 34' ' ' VAL . 28.6 t80 -54.33 -26.51 30.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -90.37 -22.81 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.78 98.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.643 HG23 HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -75.6 -45.18 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.622 ' HB2' HG22 ' A' ' 34' ' ' VAL . 18.8 tt0 -43.21 114.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' O ' ' OG1' ' A' ' 31' ' ' THR . . . -54.45 154.51 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 31' ' ' THR . . . -72.13 143.74 35.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.434 ' C ' HG23 ' A' ' 31' ' ' THR . 19.6 t-20 53.22 72.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 28' ' ' ALA . 17.9 p -154.27 -41.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.353 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.64 -10.34 38.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.47 158.12 45.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.859 ' O ' HG13 ' A' ' 67' ' ' VAL . 46.3 t -83.3 106.67 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -54.21 -17.77 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.83 -48.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.11 -43.7 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -73.43 -37.52 65.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.623 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -55.21 -45.95 75.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -64.25 -29.59 70.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.33 -54.95 10.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.586 ' HB2' HG12 ' A' ' 26' ' ' VAL . 34.3 t80 -56.71 -33.85 66.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.68 -47.29 66.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -51.98 -21.36 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -69.12 -8.12 42.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 89.9 p -65.79 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.17 -24.93 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.44 1.087 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.854 HD11 ' HG2' ' A' ' 84' ' ' GLN . 3.3 mt -65.76 160.59 60.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.44 22.62 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -74.03 -23.12 59.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -60.34 -66.0 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.536 HG21 ' HB1' ' A' ' 83' ' ' ALA . 1.9 mt -55.8 -35.57 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.67 -44.41 90.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.95 -44.5 8.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HB2' HG11 ' A' ' 89' ' ' VAL . 4.7 mmtt -63.49 -42.75 98.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.671 HG12 HD22 ' A' ' 79' ' ' LEU . 11.8 mt -56.58 -56.04 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 18.9 t-105 -55.61 -56.16 23.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 107.994 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -45.15 -44.44 10.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.583 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.1 tm? -74.18 -31.19 62.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -70.36 -67.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' ALA . 15.7 t70 -37.92 128.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m -164.59 -42.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 110.376 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -50.6 -45.61 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.34 -60.55 0.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -79.9 153.79 28.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -51.1 -40.7 44.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.859 HG13 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -44.2 145.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.623 HD12 ' CB ' ' A' ' 39' ' ' ALA . 29.3 mt -99.74 171.08 8.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' CE1' ' A' ' 23' ' ' TYR . 1.7 m -121.08 -148.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.767 ' HB3' HD11 ' A' ' 9' ' ' LEU . 17.1 mttt -83.68 -93.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.13 -50.55 1.39 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.26 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 3.7 t80 -56.84 -47.44 80.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.708 ' O ' HD11 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -56.93 -19.8 19.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.604 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -85.28 -64.45 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.82 -30.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -60.05 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -52.2 -28.32 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.671 HD22 HG12 ' A' ' 56' ' ' ILE . 2.0 tt -57.38 -41.42 80.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 76' ' ' ALA . 48.5 t -57.09 -38.54 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -65.51 -11.65 45.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.96 -69.67 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.536 ' HB1' HG21 ' A' ' 52' ' ' ILE . . . -52.76 -22.37 5.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.854 ' HG2' HD11 ' A' ' 48' ' ' LEU . 2.5 mm-40 -58.17 -28.64 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.459 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.9 t-20 -100.13 -13.84 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.94 14.19 29.69 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.9 mt -78.15 -179.97 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.489 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -59.78 169.59 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 55' ' ' LYS . 20.7 t -111.78 -10.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.744 ' O ' HD23 ' A' ' 94' ' ' LEU . 16.6 m -94.52 151.5 19.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.625 ' HA ' HD23 ' A' ' 94' ' ' LEU . 7.1 mt -60.73 -26.78 67.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.6 m -53.0 -20.79 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.489 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.46 32.98 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -111.11 -175.75 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.9 p 71.19 37.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -118.21 -162.1 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.47 63.16 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.7 m -73.1 154.48 90.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.58 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 174.4 12.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.96 144.93 31.0 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.551 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.06 -164.63 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.68 -30.53 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.9 m-85 -39.03 161.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -66.18 140.12 58.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.628 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.085 HD13 ' CE1' ' A' ' 74' ' ' PHE . 4.4 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.6 m -46.72 -76.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -57.0 -33.95 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -60.93 -13.94 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.1 37.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 38.75 29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 86.31 59.3 1.86 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.531 ' CG ' HG12 ' A' ' 18' ' ' VAL . 8.8 t-20 -130.76 104.15 15.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.05 -7.17 18.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.531 HG12 ' CG ' ' A' ' 16' ' ' ASN . 5.2 p -41.1 -51.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.2 m-30 -62.13 -37.85 86.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -50.81 -40.6 55.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.22 -62.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 9.5 m-85 -58.01 -48.14 80.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.705 ' CE2' HG21 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -54.01 -26.21 25.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -30.94 54.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.774 HG23 HG13 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -84.24 -14.7 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.37 144.48 51.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.962 ' CB ' HD12 ' A' ' 35' ' ' LEU . . . -114.49 148.35 37.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.99 -171.09 12.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -116.13 46.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 p -103.35 -21.47 13.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.05 14.28 60.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -111.54 144.23 41.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.799 ' O ' HG13 ' A' ' 67' ' ' VAL . 25.8 t -91.54 119.03 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.962 HD12 ' CB ' ' A' ' 28' ' ' ALA . 1.1 mt -61.75 -12.54 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.641 ' H ' HG12 ' A' ' 34' ' ' VAL . . . 78.9 -55.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mp -44.32 -52.61 7.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.626 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -59.2 -42.95 92.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -50.8 -51.94 45.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.03 -24.52 39.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -77.45 -52.2 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.55 ' HB2' HG12 ' A' ' 26' ' ' VAL . 18.4 t80 -57.76 -41.94 83.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.1 mt -56.28 -48.75 75.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -49.99 -22.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.4 mttm -81.0 19.08 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 59.7 p -93.14 -68.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.408 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.13 -37.27 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.105 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD22 HG21 ' A' ' 52' ' ' ILE . 4.7 mt -58.76 162.61 6.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.58 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.01 -164.82 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -96.4 -34.68 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.38 -54.01 51.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.701 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 mm -63.24 -34.74 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 49' ' ' PRO . 6.1 mt -62.96 -53.52 52.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.43 -42.7 3.51 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.698 ' HB2' HG11 ' A' ' 89' ' ' VAL . 1.5 mmtp -63.81 -43.03 97.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.901 HG12 HD22 ' A' ' 79' ' ' LEU . 1.9 mt -57.13 -55.53 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.492 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 15.6 t-105 -54.88 -55.12 33.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 107.983 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -45.73 -41.22 10.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.894 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.7 tm? -77.86 -30.28 50.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -71.91 -67.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TRP . 19.6 t70 -38.59 128.75 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 m -158.01 -43.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -61.88 -55.12 33.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.39 -106.96 0.19 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -175.76 166.22 3.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.267 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 76.79 -15.28 6.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 34' ' ' VAL . 5.4 t -151.64 150.77 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.561 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 64.3 mt -104.87 160.14 15.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -94.75 -149.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.539 ' C ' HD21 ' A' ' 9' ' ' LEU . 2.0 mttt -93.07 -97.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -45.89 -27.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -51.0 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -50.48 -43.31 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 1.085 ' CE1' HD13 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -61.43 -33.5 73.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.8 t -68.54 -49.86 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -57.35 -38.38 74.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -51.06 -70.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.495 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -53.16 -35.96 60.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.901 HD22 HG12 ' A' ' 56' ' ' ILE . 3.0 tt -52.02 -39.6 59.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 76' ' ' ALA . 46.7 t -57.51 -41.6 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -62.27 -17.14 57.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.94 -72.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 108.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.03 -22.57 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -58.45 -22.56 55.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -100.74 -18.11 16.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.12 10.06 24.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.88 168.91 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -51.68 162.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.713 HG13 HG13 ' A' ' 56' ' ' ILE . 37.0 t -103.2 0.52 10.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 m -94.32 165.2 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.804 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.4 mt -55.86 -20.18 14.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.2 m -67.33 -7.41 24.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -97.03 -17.23 20.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.476 HD12 HD23 ' A' ' 91' ' ' LEU . 9.4 mt -84.8 -179.57 7.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 p 73.77 8.19 4.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -110.39 -164.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.27 59.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.6 m -61.16 150.71 78.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.751 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.99 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.543 1.812 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.97 143.21 28.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.554 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.96 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 46' ' ' SER . 3.1 tpt180 -99.68 -30.89 11.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.7 m-85 -39.3 161.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -66.3 168.36 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.891 HD11 ' HB2' ' A' ' 70' ' ' LYS . 7.2 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 14' ' ' SER . 45.8 p -59.19 -48.5 81.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -73.79 -33.41 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -46.52 19.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.52 56.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 55.4 18.48 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 78.06 52.15 5.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.599 ' CG ' HG12 ' A' ' 18' ' ' VAL . 49.4 t-20 -85.38 121.87 73.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.63 21.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.599 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.0 p -45.56 -40.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.607 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.9 m-85 -66.05 -38.11 87.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -31.56 32.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG3' ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -61.16 -45.65 93.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.456 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 15.1 m-85 -72.63 -45.53 58.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 13.3 t80 -54.26 -26.69 30.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -25.97 25.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.95 -38.72 89.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.593 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -73.19 -39.32 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 33' ' ' ARG . 1.8 tt0 -39.37 140.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -133.01 168.54 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.57 -166.88 53.9 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -122.72 34.73 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 p -96.92 -29.37 13.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.09 24.34 27.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HD2' HG11 ' A' ' 67' ' ' VAL . 4.9 mtm-85 -129.49 168.53 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.914 ' O ' HG13 ' A' ' 67' ' ' VAL . 64.7 t -97.36 112.99 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -61.23 -12.39 12.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.756 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 84.98 -54.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -44.25 -38.45 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -74.47 -39.66 62.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.834 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -56.12 -42.79 77.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -69.45 -24.83 63.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -76.51 -48.14 20.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.593 ' HB2' HG12 ' A' ' 26' ' ' VAL . 58.0 t80 -62.25 -27.58 69.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.545 HD22 HG21 ' A' ' 80' ' ' VAL . 76.4 mt -73.86 -47.05 41.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -49.5 -23.01 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 43' ' ' LEU . 4.9 mmtt -62.38 -24.31 67.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.573 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 18.2 p -50.74 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 149.02 -19.12 1.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.715 HD12 HG13 ' A' ' 80' ' ' VAL . 28.9 mt -65.36 161.09 53.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.535 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -36.83 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.535 HD23 ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -58.82 -52.61 64.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.51 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.4 mm -62.88 -35.15 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.4 mt -63.37 -56.73 13.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.57 -42.97 1.5 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -48.93 79.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.006 HG23 HD13 ' A' ' 79' ' ' LEU . 8.8 mt -54.1 -54.39 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.756 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 29.1 t-105 -55.08 -53.94 49.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -44.14 -45.85 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.769 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.7 tm? -76.62 -29.11 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -67.89 -65.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 5.9 t70 -37.67 126.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 m -159.72 -43.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.73 -52.46 40.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.69 -64.58 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -77.32 159.36 29.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.567 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -53.33 -44.73 65.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.914 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.9 t -39.82 148.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.834 HD12 ' CB ' ' A' ' 39' ' ' ALA . 13.7 mt -100.67 -174.67 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -147.06 172.17 14.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.891 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -44.02 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.506 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.69 -51.9 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.65 -73.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 29.5 t80 -57.26 -34.41 68.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.773 ' CD2' HD22 ' A' ' 9' ' ' LEU . 2.3 m-85 -72.92 -5.45 38.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.3 t -101.89 -49.07 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.942 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -57.08 -23.99 50.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 19' ' ' TYR . 3.0 mt -59.1 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.911 ' HB3' HG21 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -50.86 -46.23 60.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.006 HD13 HG23 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -41.63 -44.5 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 76' ' ' ALA . 93.4 t -60.92 -47.81 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 101' ' ' PRO . . . -63.68 -16.35 60.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.779 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -71.14 -63.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.307 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.82 -17.46 49.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.591 ' HG2' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -70.82 -7.64 46.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.5 t-20 -117.68 -6.54 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 103.11 5.51 46.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 88' ' ' GLU . 88.2 mt -77.72 148.63 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' A' ' 93' ' ' SER . 6.5 tt0 -41.75 163.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.512 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 9.1 t -101.46 -6.37 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -94.69 169.47 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.769 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.3 mt -54.52 -21.03 8.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -16.49 20.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.497 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 14.0 p -104.56 -15.94 15.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.722 ' HB2' HD23 ' A' ' 91' ' ' LEU . 13.9 mt -85.08 176.83 8.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.4 p 81.78 2.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -109.41 -168.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.57 59.12 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.911 HG21 ' HB3' ' A' ' 78' ' ' ARG . 10.2 m -40.3 147.71 0.36 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.566 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 174.92 11.95 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.49 12.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.596 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.02 -160.47 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -98.12 -29.54 13.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 14.1 m-85 -39.27 162.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.75 179.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.401 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 70' ' ' LYS . 13.8 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' SER . 5.5 m -50.0 -70.02 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.361 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -30.34 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.91 -48.89 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -148.87 45.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 54.08 15.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 86.2 59.44 1.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.639 ' CG ' HG12 ' A' ' 18' ' ' VAL . 24.2 t-20 -108.88 115.87 56.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.69 8.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.639 HG12 ' CG ' ' A' ' 16' ' ' ASN . 7.3 p -51.97 -50.42 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.605 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.4 m-30 -61.23 -34.83 75.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -36.61 61.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -40.92 94.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 95.6 m-85 -75.18 -45.47 40.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 5.9 t80 -54.21 -28.86 43.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -21.78 22.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.0 81.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -77.58 -34.48 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.4 tt0 -45.46 143.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -119.92 150.23 40.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.28 -172.44 54.46 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.56 48.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -107.29 -28.57 9.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.418 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.79 28.25 16.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.7 140.26 49.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.932 ' O ' HG13 ' A' ' 67' ' ' VAL . 69.9 t -82.89 116.19 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.688 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -60.94 -12.38 11.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 84.45 -56.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -44.33 -44.45 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -64.98 -40.58 95.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.762 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -57.09 -43.05 81.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -21.86 66.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -83.02 -49.51 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 57.4 t80 -62.55 -35.44 79.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.19 -48.07 66.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -49.74 -23.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -62.61 -14.97 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.63 ' CB ' HG11 ' A' ' 80' ' ' VAL . 67.7 p -56.92 -67.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.45 -19.54 1.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.631 HD12 HG13 ' A' ' 80' ' ' VAL . 25.3 mt -68.72 160.79 75.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.79 -29.46 58.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.478 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -60.07 -62.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.668 HG23 HG21 ' A' ' 89' ' ' VAL . 5.6 mm -56.28 -35.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.763 HD23 HD12 ' A' ' 56' ' ' ILE . 7.2 mt -64.03 -47.75 79.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.44 -43.08 4.74 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.518 1.137 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -64.92 -41.55 95.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.763 HD12 HD23 ' A' ' 53' ' ' LEU . 25.8 mt -57.04 -53.6 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.702 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 34.1 t-105 -55.4 -56.77 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -44.3 -51.9 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.654 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.3 tm? -68.64 -28.8 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 57' ' ' TRP . . . -65.08 -61.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.4 t70 -39.75 126.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -171.42 -52.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.05 -48.36 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.71 141.34 4.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 tttm 72.51 173.93 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -72.18 -49.09 22.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 34' ' ' VAL . 42.7 t -40.44 145.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.762 HD12 ' CB ' ' A' ' 39' ' ' ALA . 84.7 mt -101.9 174.43 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.7 m -127.99 -162.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.695 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -67.36 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.471 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.15 -49.06 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.58 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 5.6 t80 -57.64 -30.48 65.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.605 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.3 m-85 -75.48 -5.8 46.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -98.39 -52.21 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -55.94 -23.84 34.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.641 HD23 ' CE2' ' A' ' 103' ' ' PHE . 3.1 mt -61.32 -73.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.511 HH21 ' CD ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -53.58 -42.19 67.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.521 HD13 HG23 ' A' ' 56' ' ' ILE . 1.1 tt -46.83 -50.17 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.631 HG13 HD12 ' A' ' 48' ' ' LEU . 32.5 t -58.18 -40.69 78.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.698 ' HB2' ' HB3' ' A' ' 101' ' ' PRO . . . -69.0 -12.63 61.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.628 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -79.36 -61.22 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.274 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.22 -15.55 57.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -66.69 -17.89 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.443 ' CB ' ' HG3' ' A' ' 99' ' ' PRO . 10.7 t30 -112.41 -16.72 12.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.69 9.5 9.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.618 HD13 ' SG ' ' A' ' 82' ' ' CYS . 9.4 mt -77.43 150.44 35.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -44.82 163.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.668 HG21 HG23 ' A' ' 52' ' ' ILE . 21.2 t -103.95 -8.83 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.718 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.6 m -94.44 151.56 19.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.654 ' HG ' HD11 ' A' ' 59' ' ' LEU . 7.7 mt -64.48 -23.51 67.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.35 -19.99 3.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.42 36.56 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 90' ' ' SER . 4.0 mm? -117.04 -170.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER 83.23 -0.07 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.94 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -161.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.51 59.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.628 HG12 ' SG ' ' A' ' 82' ' ' CYS . 4.4 m -39.95 147.12 0.36 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.585 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.98 175.07 11.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 126.12 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.698 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 -161.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -98.97 -30.11 12.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.641 ' CE2' HD23 ' A' ' 77' ' ' LEU . 17.6 m-85 -38.57 161.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -68.93 172.68 6.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.603 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.996 HD22 ' CD2' ' A' ' 74' ' ' PHE . 1.1 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' CA ' ' A' ' 14' ' ' SER . 12.0 m -51.09 -52.34 44.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.64 -34.24 64.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -42.92 43.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.3 m -158.88 59.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.496 ' CA ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 39.0 29.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.31 58.5 3.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 39.5 t-20 -106.89 126.86 29.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 1.26 7.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 19' ' ' TYR . 6.4 p -46.77 -49.17 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.624 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 m-30 -66.3 -32.66 74.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -31.02 64.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -42.23 98.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -78.27 -44.34 25.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.831 ' CE1' HG21 ' A' ' 34' ' ' VAL . 29.2 t80 -53.71 -24.97 16.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -97.45 -18.83 18.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -29.6 70.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.665 HG23 HG13 ' A' ' 34' ' ' VAL . 2.4 m -85.5 -47.2 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 4.1 tm-20 -38.49 145.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.64 121.28 44.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.53 -169.57 28.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.35 49.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.1 p -98.57 -41.93 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.97 27.1 6.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.6 128.82 37.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.885 ' O ' HG13 ' A' ' 67' ' ' VAL . 21.1 t -88.82 112.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -61.03 -12.36 11.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.6 -52.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -45.79 -43.46 13.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.742 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -70.15 -33.41 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.638 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -54.53 -53.82 49.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -61.92 -24.84 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -59.92 -59.51 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -64.19 -40.37 95.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 40' ' ' ALA . 78.7 mt -49.3 -48.09 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' A' ' 46' ' ' SER . 9.8 mtmt -46.31 -25.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 43' ' ' LEU . 7.5 mtmt -81.47 26.61 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.471 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 98.7 p -92.67 -81.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 167.01 -29.43 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.83 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 15.9 mt -71.83 160.82 81.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.63 2.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -82.8 -33.68 27.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.761 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.54 -67.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.489 HG21 ' HB1' ' A' ' 83' ' ' ALA . 7.8 mm -51.78 -37.78 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 8.0 mt -61.13 -52.02 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.31 -43.32 2.73 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.582 ' HB2' HG11 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -61.53 -45.59 93.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.511 HG12 HD22 ' A' ' 79' ' ' LEU . 16.6 mt -54.72 -57.53 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.657 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 38.2 t-105 -55.28 -53.76 52.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -45.11 -41.11 7.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.563 HD11 HD12 ' A' ' 91' ' ' LEU . 1.9 tm? -80.67 -29.17 36.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -66.98 -62.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.9 t70 -38.44 128.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -156.79 -44.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -46.16 -46.0 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.37 61.12 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.35 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 146.71 -54.36 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 34' ' ' VAL . 22.4 t -39.63 148.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.638 HD12 ' CB ' ' A' ' 39' ' ' ALA . 20.1 mt -99.51 171.62 7.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -138.25 -176.22 4.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.704 ' CB ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -53.74 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -38.11 -49.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.37 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 82.8 t80 -54.59 -35.13 63.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.996 ' CD2' HD22 ' A' ' 9' ' ' LEU . 2.9 m-85 -74.5 -3.42 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.5 t -102.97 -56.41 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.921 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -55.77 -25.3 40.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.66 -71.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.521 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.8 mmp_? -58.07 -41.32 83.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.511 HD22 HG12 ' A' ' 56' ' ' ILE . 1.3 tt -45.4 -42.8 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 76' ' ' ALA . 69.2 t -54.59 -48.69 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -58.02 -17.9 20.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 3.8 t -69.39 -65.29 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.83 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -58.23 -19.73 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.469 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -70.99 -7.25 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 50.9 t30 -114.81 -7.54 12.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.37 7.06 59.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.602 HD12 HG12 ' A' ' 98' ' ' VAL . 62.3 mt -77.86 177.5 8.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.0 OUTLIER -56.92 173.49 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 55' ' ' LYS . 5.2 t -114.04 -10.18 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.676 ' O ' HD23 ' A' ' 94' ' ' LEU . 6.3 m -94.32 150.06 20.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 59' ' ' LEU . 7.9 mt -60.06 -25.1 65.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -55.27 -18.86 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.452 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.65 28.47 8.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -108.69 -178.49 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p 76.08 33.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.442 HD11 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -117.5 -162.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.55 71.67 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.602 HG12 HD12 ' A' ' 87' ' ' LEU . 31.2 m -79.46 153.27 76.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.439 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.01 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.05 142.37 27.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.572 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.97 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -100.16 -30.76 11.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 27.5 m-85 -38.58 161.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -68.41 176.28 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 74' ' ' PHE . 88.9 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 14' ' ' SER . 4.5 m -55.98 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -33.73 71.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -41.86 -45.32 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.05 59.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER 55.82 18.47 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.75 44.19 32.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.722 ' CG ' HG12 ' A' ' 18' ' ' VAL . 12.8 t-20 -69.82 117.92 58.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.03 16.29 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.722 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.8 p -54.9 -50.83 58.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 5.3 m-30 -64.24 -35.08 79.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -42.31 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.543 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -50.06 -48.68 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 92.8 m-85 -69.22 -49.72 53.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 3.0 t80 -53.4 -22.97 8.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.24 -24.91 24.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -61.81 -38.82 89.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.73 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -73.32 -43.56 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 2.8 tm-20 -38.92 142.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.53 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -108.12 139.72 42.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.51 -168.58 52.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -114.31 44.09 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.02 -40.27 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.42 -17.28 23.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD2' HG21 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -85.52 139.53 31.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.665 HG13 HG23 ' A' ' 26' ' ' VAL . 68.8 t -89.68 111.03 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -55.06 -11.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.743 ' HB1' ' CH2' ' A' ' 57' ' ' TRP . . . 80.63 -54.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.04 -53.03 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.679 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -59.5 -40.98 88.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -46.02 -55.41 6.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.05 -29.43 57.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -67.79 -52.55 35.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.73 ' HB2' HG12 ' A' ' 26' ' ' VAL . 34.1 t80 -62.38 -32.42 73.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.6 mt -70.92 -47.27 60.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.43 -21.21 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -79.94 11.43 3.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.491 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 56.3 p -86.15 -60.74 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.3 -38.31 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 5.9 mp -62.73 164.01 13.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -98.41 -27.94 13.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.513 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -59.79 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.467 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.7 mm -55.15 -35.81 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.562 HD23 HD12 ' A' ' 56' ' ' ILE . 7.4 mt -63.38 -48.19 78.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.41 -44.61 5.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -60.66 -44.55 96.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.958 HG23 HD13 ' A' ' 79' ' ' LEU . 17.8 mt -57.11 -53.16 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.743 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 5.8 t-105 -55.12 -57.33 12.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.77 -30.75 6.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 79' ' ' LEU . 1.8 tm? -83.25 -31.67 26.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -78.43 -65.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' TRP . 15.1 t70 -39.18 130.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -162.14 -43.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -40.9 -47.6 2.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.87 -61.82 0.65 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 155.11 18.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.1 -43.22 88.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 34' ' ' VAL . 2.2 t -51.49 165.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.556 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 90.3 mt -99.73 163.01 12.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.471 ' HB2' ' CG ' ' A' ' 72' ' ' GLU . 1.4 m -96.8 -145.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.451 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -98.36 -97.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.58 -31.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 69' ' ' SER . 68.9 mm-40 -46.28 -76.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -49.82 -43.03 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.1 m-85 -57.71 -26.93 62.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.626 HG12 ' N ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -78.66 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -42.86 -30.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -59.81 -73.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.5 mmp_? -59.48 -21.01 59.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.958 HD13 HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -62.17 -43.13 99.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 76' ' ' ALA . 94.6 t -60.78 -37.28 75.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.7 -19.63 51.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 87' ' ' LEU . 4.2 t -77.38 -72.92 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.252 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.82 -25.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.445 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.5 mm-40 -52.25 -33.72 42.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.6 t30 -102.52 24.8 9.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.58 16.86 70.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 72.1 mt -77.68 165.67 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.516 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 3.5 tp10 -50.24 162.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.622 HG12 HG12 ' A' ' 56' ' ' ILE . 2.7 t -107.51 -11.59 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.636 ' O ' HD23 ' A' ' 94' ' ' LEU . 9.5 m -94.52 142.99 26.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.631 ' HA ' HD23 ' A' ' 94' ' ' LEU . 5.0 mt -56.8 -26.12 57.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -19.97 5.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.516 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -121.45 33.45 5.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 90' ' ' SER . 4.3 mm? -112.73 -178.13 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.2 p 78.45 27.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.45 -162.36 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.42 59.81 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 14.6 m -63.94 140.39 97.85 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.675 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.97 174.35 12.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.6 30.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 17.9 Cg_endo -75.06 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -100.08 -31.04 11.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.1 m-85 -40.32 163.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -7.32 34.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 70' ' ' LYS . 11.6 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 14' ' ' SER . 4.2 m -51.22 -52.39 44.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -71.02 -33.46 70.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -47.33 -40.47 17.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -164.8 61.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 40.68 28.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 72.17 55.98 6.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.533 ' CG ' HG12 ' A' ' 18' ' ' VAL . 36.3 t-20 -97.87 117.05 65.62 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.83 20.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.533 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.2 p -46.31 -36.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.1 m-85 -66.55 -40.04 88.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -40.55 34.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.28 -64.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 14.8 m-85 -57.62 -43.98 85.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 33.7 t80 -54.24 -30.32 49.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -24.52 28.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -63.05 -40.12 96.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.606 HG23 HG23 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -75.19 -42.21 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' VAL . 2.4 tt0 -38.69 132.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.79 149.2 24.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.3 -178.95 4.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -109.18 43.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.8 p -93.78 -32.08 14.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.85 24.02 10.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -135.17 143.3 46.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.903 ' O ' HG13 ' A' ' 67' ' ' VAL . 1.6 p -95.51 115.59 34.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.734 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -60.07 -12.87 9.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 89.25 -56.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -40.33 -38.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -73.46 -48.35 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.842 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -48.75 -41.64 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.638 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -66.96 -30.64 70.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -66.18 -56.31 12.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' HB2' HG12 ' A' ' 26' ' ' VAL . 80.8 t80 -56.91 -33.66 67.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 40' ' ' ALA . 41.2 mt -64.24 -47.7 78.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -20.31 6.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -76.21 -1.91 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 60.6 p -69.71 -70.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.58 -25.79 0.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.766 HD12 HG13 ' A' ' 80' ' ' VAL . 9.8 mt -67.02 162.61 52.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.13 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -94.67 -31.92 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.26 -60.2 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.471 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.6 mt -58.23 -35.32 52.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 56' ' ' ILE . 9.4 mt -63.11 -51.27 67.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.68 -46.61 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -60.47 -43.72 96.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 53' ' ' LEU . 14.8 mt -57.11 -53.82 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.638 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 28.4 t-105 -55.16 -56.29 21.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 108.044 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.97 -44.58 15.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.635 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.5 tm? -73.83 -29.23 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -68.19 -62.82 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' ALA . 29.6 t0 -39.14 123.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.4 m -157.3 -44.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -46.61 -46.27 19.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.79 43.3 0.81 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.25 169.25 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -64.57 -60.61 6.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.903 HG13 ' O ' ' A' ' 34' ' ' VAL . 36.2 t -39.33 146.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.842 HD12 ' CB ' ' A' ' 39' ' ' ALA . 77.8 mt -102.12 169.42 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 m -123.99 -160.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.616 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -70.08 -93.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' VAL . 6.4 mt-30 -38.2 -47.7 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -43.4 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CE1' HD12 ' A' ' 77' ' ' LEU . 9.8 t80 -59.49 -39.62 84.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.4 m-85 -64.69 -15.42 61.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.5 t -89.97 -63.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.977 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -48.28 -26.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.547 HD12 ' CE1' ' A' ' 73' ' ' PHE . 1.1 mt -62.78 -75.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -55.01 -41.61 71.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.615 HD21 ' O ' ' A' ' 89' ' ' VAL . 2.9 tt -43.94 -40.68 4.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 76' ' ' ALA . 84.2 t -60.45 -44.31 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.644 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -62.88 -15.94 56.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.519 ' HA ' HG23 ' A' ' 98' ' ' VAL . 1.8 t -75.88 -69.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.314 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.9 -20.15 14.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.446 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.2 -15.26 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.472 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 2.4 t30 -107.8 13.67 26.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.83 7.05 86.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 85' ' ' ASN . 4.3 mt -77.8 177.99 7.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 93' ' ' SER . 5.9 tt0 -53.03 161.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.615 ' O ' HD21 ' A' ' 79' ' ' LEU . 7.3 t -105.48 2.14 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.2 m -94.61 160.55 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.512 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.0 mt -60.78 -21.56 63.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.36 -47.25 72.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.579 ' HA ' HD12 ' A' ' 96' ' ' LEU . 50.1 p -74.24 -22.57 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.613 HD22 HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -63.06 -37.14 86.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.0 p -57.63 -19.87 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 93' ' ' SER . 7.6 mt -74.33 -167.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.42 56.78 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.613 HG11 HD22 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -42.64 132.8 2.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.644 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.09 174.76 12.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -75.0 141.66 26.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.541 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.05 -164.45 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -100.08 -30.08 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 27.5 m-85 -38.52 161.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.61 174.06 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.639 HD22 ' CG ' ' A' ' 74' ' ' PHE . 14.1 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.5 m -47.92 -71.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -32.95 70.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.4 tm? -45.58 -42.43 11.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -167.59 61.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 46.67 25.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.0 51.96 26.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.507 ' CG ' HG12 ' A' ' 18' ' ' VAL . 9.0 t-20 -83.95 114.0 51.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.02 9.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.507 HG12 ' CG ' ' A' ' 16' ' ' ASN . 13.0 p -57.79 -39.8 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 8.1 m-85 -66.29 -32.35 73.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -32.43 57.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.566 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 1.6 ttpt -62.41 -37.94 87.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 9.1 m-30 -75.06 -54.74 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 2.6 t80 -53.39 -20.84 4.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -25.97 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -62.28 -35.25 78.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.583 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -87.44 -29.47 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.549 ' HA ' HG23 ' A' ' 34' ' ' VAL . 2.5 tt0 -55.01 144.43 23.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -114.12 160.7 18.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.49 -175.04 1.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -118.76 48.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.1 p -101.41 -37.28 8.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.65 12.81 20.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -118.16 138.7 52.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.978 ' O ' HG13 ' A' ' 67' ' ' VAL . 5.0 p -101.48 120.51 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.668 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.9 mt -63.36 -12.61 31.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 81.3 -51.92 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ALA . 2.5 mm? -38.8 -39.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -71.34 -49.01 46.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -46.22 -43.22 15.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.39 84.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -65.43 -45.45 83.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.583 ' HB2' HG12 ' A' ' 26' ' ' VAL . 11.0 t80 -62.94 -38.37 90.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.548 HD22 HG21 ' A' ' 80' ' ' VAL . 77.3 mt -59.82 -46.47 89.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -53.93 -21.58 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -76.12 -1.78 27.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 90.9 p -72.57 -74.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.42 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 164.84 -29.79 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 83' ' ' ALA . 13.3 mt -72.85 161.87 77.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.911 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.01 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.35 -24.8 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.815 HD12 HG12 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -58.54 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.815 HG12 HD12 ' A' ' 51' ' ' LEU . 2.7 mm -47.8 -35.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.911 HD12 ' O ' ' A' ' 49' ' ' PRO . 5.4 mt -61.4 -46.84 88.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -46.32 -39.84 10.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -63.85 -41.87 97.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.286 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.77 HG12 HD22 ' A' ' 79' ' ' LEU . 55.2 mt -57.1 -56.98 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.614 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 8.9 t-105 -54.37 -54.37 41.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.5 -29.43 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.635 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.9 tm? -88.79 -29.52 19.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -74.97 -62.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' ALA . 2.0 t70 -38.77 129.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -159.43 -44.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.47 -47.77 38.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.28 -56.2 0.73 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.143 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' GLY . 1.8 ttmt -81.13 141.57 34.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -37.39 -42.82 0.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.978 HG13 ' O ' ' A' ' 34' ' ' VAL . 53.9 t -40.4 146.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.607 HD21 ' CZ2' ' A' ' 57' ' ' TRP . 20.2 mt -100.25 169.24 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.5 m -126.24 179.22 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -54.14 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.586 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.15 -52.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -39.53 -71.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 6.1 t80 -57.25 -41.18 79.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.1 m-85 -61.41 -20.49 63.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.2 t -85.35 -64.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -44.36 -28.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 77' ' ' LEU . 1.1 mt -60.63 -77.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.477 ' CD ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -53.88 -31.15 48.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.77 HD22 HG12 ' A' ' 56' ' ' ILE . 1.6 tt -56.15 -40.18 73.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 76' ' ' ALA . 42.6 t -57.11 -41.65 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.802 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -60.24 -21.38 61.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.499 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -68.91 -67.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.228 -179.932 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.659 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -52.49 -21.92 4.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.477 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -69.97 -14.39 62.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 6.6 t30 -107.79 -14.91 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.75 5.49 56.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mt -77.6 164.11 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -41.61 163.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 56' ' ' ILE . 4.4 t -103.21 1.12 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -94.51 163.23 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.635 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.7 mt -61.75 -21.34 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -51.02 -48.4 61.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.487 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -73.5 -22.85 60.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.552 HD23 HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -64.05 -36.93 85.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.5 p -51.99 -23.14 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 93' ' ' SER . 1.8 mt -79.23 -166.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.13 73.16 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.552 HG11 HD23 ' A' ' 94' ' ' LEU . 8.9 m -54.47 146.55 32.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.802 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 174.98 11.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.06 142.53 27.77 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.08 -165.28 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.802 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.7 -29.74 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 25.3 m-85 -38.38 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 105' ' ' ASP . 80.6 t60 -79.38 171.15 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.61 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.048 HD13 ' CE1' ' A' ' 74' ' ' PHE . 3.9 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' GLY . 14.4 m -46.95 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.38 -32.36 66.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.12 -16.73 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -149.12 36.64 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.031 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.45 29.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' N ' ' C ' ' A' ' 13' ' ' SER . . . 89.22 58.46 1.66 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 5.3 t-20 -135.99 108.83 9.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.01 0.79 8.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.544 1.812 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.662 HG13 ' HD1' ' A' ' 19' ' ' TYR . 6.8 p -44.82 -39.3 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.662 ' HD1' HG13 ' A' ' 18' ' ' VAL . 8.6 m-85 -66.58 -36.79 83.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -58.85 -34.33 71.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -51.89 -53.55 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.425 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.1 m-85 -68.17 -44.64 75.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 48.8 t80 -52.08 -27.52 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -83.96 -28.33 27.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -37.63 85.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.632 HG23 HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -76.07 -40.28 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.1 tt0 -40.91 143.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -123.8 144.14 49.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.25 -169.85 54.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -119.01 49.87 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.1 p -108.08 -29.34 9.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.71 25.43 20.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -130.71 145.63 51.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.782 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.0 p -91.68 116.88 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.736 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.9 mt -57.61 -13.72 4.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 88.5 -55.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -47.85 -38.37 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -72.99 -32.11 64.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.801 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -59.17 -40.41 85.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.03 -29.74 66.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -63.05 -55.23 27.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.68 ' HE2' HD21 ' A' ' 77' ' ' LEU . 29.3 t80 -59.89 -40.82 90.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 80' ' ' VAL . 79.4 mt -58.46 -46.37 86.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -20.08 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -78.42 2.46 18.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . 53.8 p -73.67 -69.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.01 -26.57 0.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.713 HD12 HG13 ' A' ' 80' ' ' VAL . 10.3 mt -64.4 163.08 28.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.97 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -97.23 -36.81 10.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.94 -54.31 47.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.694 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 mm -61.98 -35.21 67.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 10.3 mt -64.09 -52.03 61.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.64 -41.38 3.26 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.69 ' HB2' HG11 ' A' ' 89' ' ' VAL . 4.6 mtmt -62.08 -43.93 97.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 0.713 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.722 HG12 HD22 ' A' ' 79' ' ' LEU . 8.5 mt -56.75 -57.53 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.611 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 28.3 t-105 -55.23 -50.96 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -43.77 -45.98 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.853 HD11 ' HG ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -80.07 -27.53 39.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -63.18 -59.53 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -37.67 140.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.64 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.61 38.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.02 -133.71 11.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' CE ' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -162.86 168.92 20.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.473 ' C ' HG23 ' A' ' 67' ' ' VAL . . . 88.31 -16.48 52.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.565 1.166 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 34' ' ' VAL . 26.0 t -154.99 149.61 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.801 HD12 ' CB ' ' A' ' 39' ' ' ALA . 7.5 mt -99.37 179.96 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.04 155.37 45.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -47.58 -72.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' H ' ' CG ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -49.97 -60.38 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' VAL . 1.6 mm-40 -39.52 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 14.8 t80 -47.2 -42.68 20.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 1.048 ' CE1' HD13 ' A' ' 9' ' ' LEU . 1.2 m-85 -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -79.41 -56.13 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -52.52 -46.97 66.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.68 HD21 ' HE2' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -43.49 -63.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.48 ' CZ ' ' HG3' ' A' ' 101' ' ' PRO . 1.9 mmp_? -64.4 -33.33 75.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.722 HD22 HG12 ' A' ' 56' ' ' ILE . 2.4 tt -55.92 -37.8 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.713 HG13 HD12 ' A' ' 48' ' ' LEU . 92.2 t -60.5 -37.42 74.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.872 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.59 -18.7 64.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.753 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.7 OUTLIER -72.46 -70.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.41 -22.58 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.45 -13.52 30.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.455 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.8 t30 -109.8 -14.04 14.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.91 49.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.71 169.59 18.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.07 162.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.69 HG11 ' HB2' ' A' ' 55' ' ' LYS . 11.8 t -104.93 -0.02 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.2 m -94.41 164.33 13.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.853 ' HG ' HD11 ' A' ' 59' ' ' LEU . 6.9 mt -60.72 -22.79 64.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -47.97 58.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.521 ' HA ' HD12 ' A' ' 96' ' ' LEU . 1.3 m -72.65 -23.94 60.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.609 HD23 HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -62.4 -36.46 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.5 p -52.87 -22.68 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 93' ' ' SER . 2.0 mt -80.65 -167.62 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.21 74.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.753 HG12 ' SG ' ' A' ' 82' ' ' CYS . 5.7 m -53.06 144.61 27.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.872 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 174.88 12.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.02 139.79 24.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -162.94 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -101.86 -30.38 11.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 28.6 m-85 -38.47 161.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.65 137.07 57.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.615 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.584 HD22 ' CG ' ' A' ' 74' ' ' PHE . 5.8 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' SER . 7.7 p -56.39 -49.58 74.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -32.55 58.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -48.52 -43.6 35.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.74 56.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 58.69 14.92 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 81.51 42.66 9.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.722 ' CG ' HG12 ' A' ' 18' ' ' VAL . 34.9 t-20 -71.17 118.19 63.49 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.26 21.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.722 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.2 p -46.03 -41.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.64 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.8 m-85 -66.29 -37.69 86.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -38.14 34.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.552 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.03 -43.49 66.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 12.6 m-85 -74.4 -49.83 20.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 3.1 t80 -54.27 -28.3 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -29.11 35.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -32.9 72.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.591 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -86.81 -26.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.31 140.42 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.36 166.1 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.58 -170.55 1.3 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -124.27 52.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.2 p -111.94 -31.23 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.76 14.68 22.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' CZ ' HG11 ' A' ' 67' ' ' VAL . 4.0 mmm180 -115.1 141.22 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.965 ' O ' HG13 ' A' ' 67' ' ' VAL . 6.2 p -101.76 117.13 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.664 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -61.95 -12.81 20.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 81.68 -51.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ALA . 3.3 mm? -38.98 -46.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -64.43 -47.31 79.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.574 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -48.03 -38.97 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.07 -33.79 76.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -70.63 -47.83 58.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.591 ' HB2' HG12 ' A' ' 26' ' ' VAL . 21.4 t80 -55.25 -39.54 69.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 80' ' ' VAL . 70.3 mt -55.67 -44.6 77.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -53.44 -23.12 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -78.82 2.7 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 79.5 p -78.17 -74.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.443 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 163.83 -30.29 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.702 HD12 HG13 ' A' ' 80' ' ' VAL . 16.4 mt -69.38 161.51 73.08 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.542 0.789 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -171.9 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -87.76 -33.41 18.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.45 -68.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.482 HG21 ' HB1' ' A' ' 83' ' ' ALA . 4.9 mm -51.31 -37.17 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 56' ' ' ILE . 8.8 mt -62.49 -49.01 77.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.07 -39.91 3.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.871 ' HB2' HG11 ' A' ' 89' ' ' VAL . 16.5 mttt -65.56 -42.38 91.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.674 HG13 HG13 ' A' ' 89' ' ' VAL . 17.1 mt -57.01 -56.19 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.631 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 36.8 t-105 -55.43 -51.44 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -44.09 -44.22 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.785 HD11 ' HG ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -81.03 -27.62 35.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -67.44 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.3 t70 -37.82 136.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.6 m -151.39 -44.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -60.0 -49.46 77.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.79 -66.89 0.49 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -41.08 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 174.65 -50.12 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.965 HG13 ' O ' ' A' ' 34' ' ' VAL . 22.9 t -38.76 148.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.587 ' HB2' HG11 ' A' ' 34' ' ' VAL . 30.7 mt -100.31 163.43 12.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -111.05 -148.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -83.18 -96.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -44.26 -29.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -49.64 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 4.2 t80 -51.15 -31.7 20.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.2 m-85 -69.99 -21.43 63.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 76' ' ' ALA . 2.1 t -83.55 -62.2 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -47.38 -26.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -65.78 -74.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.502 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -51.63 -29.91 19.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.686 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.1 tt -57.74 -43.55 85.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 76' ' ' ALA . 85.0 t -54.72 -36.94 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.872 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.88 -17.43 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.798 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -76.98 -70.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.259 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -50.46 -23.4 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.456 ' N ' HD11 ' A' ' 48' ' ' LEU . 2.3 mm-40 -56.27 -25.0 46.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -103.57 -16.71 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.95 12.95 21.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 mt -77.91 172.78 12.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 93' ' ' SER . 2.9 tp10 -51.29 161.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.871 HG11 ' HB2' ' A' ' 55' ' ' LYS . 34.7 t -104.24 -1.47 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.23 165.35 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.785 ' HG ' HD11 ' A' ' 59' ' ' LEU . 6.1 mt -61.45 -21.37 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -51.34 -48.75 62.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.036 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 88' ' ' GLU . 86.1 p -73.3 -22.48 60.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.478 ' CB ' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -65.48 -36.88 85.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.7 p -53.28 -25.02 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.08 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 93' ' ' SER . 1.4 mt -77.3 -163.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.78 64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.798 HG12 ' SG ' ' A' ' 82' ' ' CYS . 9.7 m -43.57 146.28 0.98 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.872 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 174.82 12.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -74.97 140.76 25.9 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -164.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.73 -30.15 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 27.6 m-85 -38.92 161.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.84 170.75 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.609 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.988 HD22 ' CG ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' SER . 6.4 m -47.51 -54.32 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -76.36 -32.11 58.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -42.04 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.41 58.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 54.79 18.63 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.23 29.88 55.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -55.82 121.06 37.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.47 7.72 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -56.74 -43.0 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 18.1 m-85 -66.77 -34.62 78.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -33.77 65.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -38.15 85.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 20.4 m-85 -77.79 -42.64 33.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.534 ' CE1' HG11 ' A' ' 34' ' ' VAL . 13.8 t80 -54.04 -33.26 56.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -24.69 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -34.94 77.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.641 HG23 HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -87.6 -25.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -61.77 117.12 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.084 ' HB3' HG21 ' A' ' 31' ' ' THR . . . -49.41 166.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.993 ' O ' HG23 ' A' ' 31' ' ' THR . . . -79.89 149.66 31.61 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 18.6 t-20 37.26 51.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 1.084 HG21 ' HB3' ' A' ' 28' ' ' ALA . 22.2 p -119.9 -38.41 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.92 -22.88 8.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 164.18 28.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 67' ' ' VAL . 1.9 p -92.35 112.2 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.728 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -57.1 -15.0 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.793 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 86.56 -48.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -40.07 -45.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.1 m-20 -73.4 -41.82 62.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.598 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.69 -38.45 55.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.68 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -70.73 -32.37 69.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.12 68.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.556 ' HB2' HG12 ' A' ' 26' ' ' VAL . 83.8 t80 -66.42 -29.08 69.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 45' ' ' LYS . 72.3 mt -75.01 -46.74 33.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -20.9 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 43' ' ' LEU . 2.2 mmmt -71.06 -5.08 28.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.538 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 24.2 p -68.24 -55.95 10.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.23 -35.9 1.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.519 HD12 HG13 ' A' ' 80' ' ' VAL . 2.1 mt -60.69 162.35 12.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.409 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 -165.45 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -95.23 -28.61 14.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.452 HD23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.48 -61.07 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.452 HG13 HD23 ' A' ' 51' ' ' LEU . 1.8 mt -56.03 -37.2 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.56 HD23 HD12 ' A' ' 56' ' ' ILE . 7.9 mt -63.6 -49.5 73.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.14 -44.94 3.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HB2' HG11 ' A' ' 89' ' ' VAL . 6.5 mtmt -60.62 -45.46 93.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.734 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.849 HG23 HD13 ' A' ' 79' ' ' LEU . 57.8 mt -55.87 -55.62 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.793 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 16.8 t-105 -55.35 -55.85 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 108.021 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.34 -29.52 4.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.566 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.9 tm? -88.8 -29.31 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -71.29 -58.91 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ALA . 37.8 t70 -39.48 126.0 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -164.64 -43.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -46.87 -40.24 13.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.88 11.39 16.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.52 142.24 26.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -43.8 -48.81 7.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 34' ' ' VAL . 38.9 t -45.36 147.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.598 HD12 ' CB ' ' A' ' 39' ' ' ALA . 21.3 mt -102.12 173.55 6.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -128.24 -156.31 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -77.05 -88.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -38.02 -52.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -43.71 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' A' ' 23' ' ' TYR . 48.4 t80 -51.67 -32.17 28.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.988 ' CG ' HD22 ' A' ' 9' ' ' LEU . 2.8 m-85 -79.94 -0.88 36.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.451 HG11 HD11 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -104.46 -55.29 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -56.61 -31.74 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -55.02 -72.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.489 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -55.4 -32.77 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.849 HD13 HG23 ' A' ' 56' ' ' ILE . 2.0 tt -50.25 -48.27 54.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.519 HG13 HD12 ' A' ' 48' ' ' LEU . 79.7 t -51.68 -43.71 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -56.91 -18.38 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.6 t -73.49 -69.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 108.304 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.6 -21.41 3.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.455 ' HG2' HD11 ' A' ' 48' ' ' LEU . 2.5 mm-40 -62.13 -25.6 67.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 29.5 t-20 -100.17 -10.85 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.43 11.48 47.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 70.7 mt -77.81 179.26 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.41 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 5.2 tt0 -58.18 166.51 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 55' ' ' LYS . 10.9 t -107.57 -10.16 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 94' ' ' LEU . 3.6 m -94.46 141.42 28.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.066 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.707 ' HA ' HD23 ' A' ' 94' ' ' LEU . 3.8 mt -52.36 -24.34 7.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -53.28 -20.5 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.582 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -121.09 32.16 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.936 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.707 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.4 mm? -111.35 -176.05 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 p 72.78 27.73 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -109.94 -165.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.25 61.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 m -72.25 154.68 92.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.47 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.04 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.96 146.88 33.36 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.03 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 46' ' ' SER . 1.9 tpt180 -99.61 -31.36 11.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 22.8 m-85 -40.14 162.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 173.21 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.005 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 1.3 mt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' SER . 17.3 m -53.92 -51.08 64.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -33.08 57.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -51.44 -45.76 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.21 55.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 59.88 13.82 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.44 ' N ' ' HA ' ' A' ' 10' ' ' THR . . . 81.76 42.56 8.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.686 ' CG ' HG12 ' A' ' 18' ' ' VAL . 38.0 t-20 -67.35 126.1 92.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.01 -18.59 18.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.686 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.0 p -41.86 -44.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.703 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 17.8 m-85 -66.66 -38.83 87.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -54.83 -39.84 68.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.44 -52.8 15.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -67.59 -52.81 34.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.796 ' CE1' HG21 ' A' ' 34' ' ' VAL . 12.5 t80 -52.79 -23.07 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -24.65 28.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -63.96 -38.81 92.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.2 m -67.43 -34.5 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -38.98 146.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.23 169.0 18.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.08 -167.02 7.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -116.24 47.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.48 -29.54 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.38 -0.2 80.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -116.25 158.7 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.796 HG21 ' CE1' ' A' ' 23' ' ' TYR . 75.8 t -85.21 114.55 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.688 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -63.51 -11.58 25.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.19 -53.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -40.37 -57.79 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.701 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -57.71 -39.51 77.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -48.63 -53.28 19.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.82 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -71.5 -55.46 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.624 ' HB2' HG12 ' A' ' 26' ' ' VAL . 47.5 t80 -55.46 -29.77 59.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.04 -48.25 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -54.21 -19.95 6.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -78.29 1.41 21.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 91.2 p -74.94 -78.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 164.18 -27.26 0.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.566 HD12 HG13 ' A' ' 80' ' ' VAL . 13.0 mt -71.15 162.67 71.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.78 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.443 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.01 175.87 10.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.96 -30.23 44.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -60.07 -64.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.544 HG23 HG21 ' A' ' 89' ' ' VAL . 1.9 mt -56.6 -35.16 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 49' ' ' PRO . 6.9 mt -62.63 -50.09 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.65 -44.67 4.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -61.85 -42.53 99.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.517 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 31.9 mt -57.19 -57.65 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.512 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 20.9 t-105 -55.51 -53.72 52.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -43.73 -46.5 7.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 91' ' ' LEU . 2.2 tm? -75.46 -30.64 60.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -65.36 -65.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.1 t0 -38.9 131.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -155.35 -46.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.8 -55.53 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.94 -116.65 0.42 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.21 163.44 15.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.501 ' O ' HG22 ' A' ' 67' ' ' VAL . . . 85.37 -15.38 45.7 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -154.26 162.55 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 0.8 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.532 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 89.6 mt -120.36 158.18 27.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.428 ' HB2' ' HG2' ' A' ' 72' ' ' GLU . 56.1 m -91.03 -98.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.412 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -159.26 -63.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER -54.47 -46.54 73.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' N ' ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -49.32 -70.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.4 t80 -53.16 -23.68 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 1.005 ' CZ ' HD13 ' A' ' 9' ' ' LEU . 1.4 m-85 -77.22 -20.95 54.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.613 HG11 HD11 ' A' ' 91' ' ' LEU . 1.1 t -87.07 -56.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.553 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -48.8 -37.06 18.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -49.3 -68.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' NH1' ' OH ' ' A' ' 19' ' ' TYR . 5.2 mmp_? -64.6 -25.59 68.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.496 ' CD2' HD21 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -58.41 -38.71 77.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 ' HB2' ' A' ' 46' ' ' SER . 17.3 t -60.41 -51.16 76.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.873 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -55.38 -24.26 28.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.584 ' HA ' HG23 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -71.12 -66.17 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.305 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.25 -21.72 60.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -60.95 -13.89 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.9 t-20 -112.78 16.64 19.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.74 10.48 86.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.592 1.182 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.3 mt -78.31 167.64 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.495 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -50.46 170.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.544 HG21 HG23 ' A' ' 52' ' ' ILE . 16.3 t -115.03 -9.8 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.762 ' O ' HD23 ' A' ' 94' ' ' LEU . 12.0 m -94.39 151.41 19.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.613 HD11 HG11 ' A' ' 75' ' ' VAL . 7.3 mt -64.3 -23.75 67.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 m -58.76 -20.15 46.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.495 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -119.9 32.33 6.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 90' ' ' SER . 3.6 mm? -109.09 -169.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.9 t 64.38 38.81 7.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.71 -157.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.88 54.85 3.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.584 HG23 ' HA ' ' A' ' 82' ' ' CYS . 1.6 p -63.92 128.14 92.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.873 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 174.77 12.21 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.435 1.755 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.98 144.4 30.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.553 1.818 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.97 -165.32 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.809 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 15.9 ttt-85 -99.69 -30.05 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 28.6 m-85 -38.52 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -66.99 170.42 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.629 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -118.35 172.39 7.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.65 HD11 ' HB3' ' A' ' 70' ' ' LYS . 20.6 mt -49.21 -36.05 18.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' SER . 87.9 m -49.67 -70.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.448 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -59.46 -33.59 71.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.5 tm? -45.85 -40.9 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -166.71 61.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.941 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 41.67 28.2 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 68.28 51.65 31.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.661 ' CG ' HG12 ' A' ' 18' ' ' VAL . 11.3 t-20 -88.08 114.52 59.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.754 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.96 -12.38 21.6 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.661 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.6 p -45.08 -40.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 11.6 m-85 -66.32 -37.33 85.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -52.13 -35.19 47.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.55 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -55.62 -40.78 72.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 13.7 m-85 -76.38 -47.6 22.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CE1' HG21 ' A' ' 34' ' ' VAL . 21.7 t80 -54.17 -23.71 15.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -24.02 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.16 -37.84 86.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -78.75 -41.4 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -38.67 137.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -111.57 157.57 20.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.45 -165.55 53.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -129.02 55.43 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.7 p -114.35 -37.51 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.37 30.73 4.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -134.78 143.67 47.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.275 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.921 ' O ' HG13 ' A' ' 67' ' ' VAL . 44.4 t -90.01 114.54 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.702 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -61.83 -11.91 14.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 84.73 -54.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -43.64 -51.46 6.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -59.07 -37.52 77.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -49.88 -55.65 13.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.34 -31.12 31.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -65.92 -49.73 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.682 ' HB2' HG12 ' A' ' 26' ' ' VAL . 84.8 t80 -65.57 -33.94 77.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' SER . 80.1 mt -67.37 -48.25 68.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -21.03 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -78.34 2.49 18.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.4 p -75.24 -71.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 154.09 -28.17 0.72 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.621 HD12 HG13 ' A' ' 80' ' ' VAL . 9.0 mt -65.67 161.77 49.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 169.51 22.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.07 -31.6 64.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.5 -64.65 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.602 HG21 ' HB1' ' A' ' 83' ' ' ALA . 5.5 mm -54.89 -36.69 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.833 HD23 HD12 ' A' ' 56' ' ' ILE . 9.3 mt -61.65 -50.32 72.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.39 -43.96 3.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.715 ' HB2' HG11 ' A' ' 89' ' ' VAL . 8.9 mttt -60.34 -43.55 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.833 HD12 HD23 ' A' ' 53' ' ' LEU . 73.5 mt -56.93 -54.56 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.478 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 30.3 t-105 -55.45 -56.05 24.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -44.96 -51.11 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -69.83 -27.18 64.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -72.42 -70.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 30.3 t0 -38.26 127.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 m -160.93 -43.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.93 -46.9 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.36 -62.12 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -76.51 146.21 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -44.28 -46.99 8.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.8 t -39.73 148.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.536 HD12 ' HB2' ' A' ' 39' ' ' ALA . 90.4 mt -100.21 174.91 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.423 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -127.35 -150.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.65 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -83.24 -94.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.609 ' OE1' HD23 ' A' ' 12' ' ' LEU . 1.4 mm100 -39.98 -50.94 2.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -39.74 -67.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 10.3 t80 -60.28 -42.99 96.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.635 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.9 m-85 -60.66 -19.16 57.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 76' ' ' ALA . 2.0 t -84.48 -65.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.07 -30.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -59.53 -77.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.449 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -53.56 -26.34 20.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.751 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.1 tt -57.48 -46.46 83.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 76' ' ' ALA . 59.5 t -54.13 -36.89 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -65.82 -13.75 60.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -75.51 -67.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 108.297 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.602 ' HB1' HG21 ' A' ' 52' ' ' ILE . . . -55.46 -19.91 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.31 -25.94 68.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.461 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 22.4 t30 -103.38 -9.2 19.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 97.64 12.82 46.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.495 ' CD1' HG12 ' A' ' 98' ' ' VAL . 94.0 mt -77.88 -178.97 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.796 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.7 OUTLIER -60.13 173.04 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 55' ' ' LYS . 13.3 t -115.06 -9.8 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.721 ' O ' HD23 ' A' ' 94' ' ' LEU . 37.7 m -94.53 153.44 17.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.601 ' HA ' HD23 ' A' ' 94' ' ' LEU . 8.0 mt -62.46 -24.68 67.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.9 t -56.28 -18.32 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.516 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -120.84 29.62 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.43 -177.69 3.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 p 72.89 35.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.516 HD11 ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -116.5 -161.96 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.47 57.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.495 HG12 ' CD1' ' A' ' 87' ' ' LEU . 15.7 m -68.2 156.81 89.17 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.489 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.05 173.88 13.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.99 145.95 32.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.512 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.92 -163.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -99.76 -31.08 11.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.0 m-85 -39.35 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -65.95 166.15 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.647 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' C ' ' NE2' ' A' ' 71' ' ' GLN . 92.9 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.36 -179.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 70' ' ' LYS . 40.0 mt -81.27 -33.93 32.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.2 m -49.24 -64.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.31 -33.92 75.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -45.23 -41.1 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -167.61 62.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 42.36 27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.987 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.85 52.86 17.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.649 ' CG ' HG12 ' A' ' 18' ' ' VAL . 18.5 t-20 -89.41 114.61 61.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.41 18.02 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.462 1.77 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.649 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.4 p -52.0 -38.66 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.637 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 12.0 m-85 -66.46 -34.68 78.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -39.63 71.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 22' ' ' TYR . 4.7 ptmt -49.19 -44.06 42.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CE1' ' HD3' ' A' ' 21' ' ' LYS . 12.1 m-85 -75.89 -46.8 28.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -51.45 -28.93 14.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -89.47 -24.05 21.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.48 -32.61 73.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.678 HG23 HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -85.72 -40.7 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -39.03 139.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.33 147.56 34.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.65 -170.48 51.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -121.62 51.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.8 p -107.32 -33.08 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.12 25.11 8.07 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -130.73 141.46 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.942 ' O ' HG13 ' A' ' 67' ' ' VAL . 71.0 t -91.99 115.92 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.698 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -61.3 -12.3 13.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.02 -50.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -44.27 -44.6 8.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -70.51 -35.81 73.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.626 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -57.46 -35.71 70.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -25.15 57.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.42 -47.21 35.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.565 ' HB2' HG12 ' A' ' 26' ' ' VAL . 22.2 t80 -61.84 -45.58 93.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 46' ' ' SER . 21.1 mt -52.3 -48.43 65.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' A' ' 46' ' ' SER . 1.9 mttm -47.44 -24.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -81.46 24.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB2' HG11 ' A' ' 80' ' ' VAL . 86.9 p -97.38 -74.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 160.29 -26.68 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.122 HD12 HG13 ' A' ' 80' ' ' VAL . 14.5 mt -67.66 161.85 62.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.94 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.798 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.57 -37.42 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -60.24 -54.1 49.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.677 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 mm -63.3 -34.68 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.787 HD23 HD12 ' A' ' 56' ' ' ILE . 8.6 mt -63.58 -51.82 63.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.11 -45.74 4.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -57.61 -44.31 85.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.787 HD12 HD23 ' A' ' 53' ' ' LEU . 47.3 mt -56.15 -54.49 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.64 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 26.9 t-105 -55.34 -55.87 26.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 107.956 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -43.45 -49.37 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 91' ' ' LEU . 1.6 tm? -71.06 -31.22 67.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.28 -68.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ALA . 23.2 t70 -38.75 126.98 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 m -161.78 -43.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.382 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -49.22 -47.54 46.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.49 -57.62 0.67 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -82.48 139.13 34.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 0.738 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.55 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -39.19 -41.28 1.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.942 HG13 ' O ' ' A' ' 34' ' ' VAL . 45.8 t -43.74 145.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.626 HD12 ' CB ' ' A' ' 39' ' ' ALA . 31.4 mt -99.94 171.16 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -123.99 -149.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.07 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.724 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -83.12 -90.62 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 75' ' ' VAL . 9.5 mt-30 -39.28 -47.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.087 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -43.27 -72.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.44 -40.02 77.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.637 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -66.61 -10.76 49.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -93.41 -60.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.557 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -48.1 -28.07 2.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.712 HD23 ' CE2' ' A' ' 103' ' ' PHE . 0.9 OUTLIER -61.14 -69.36 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.498 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -61.03 -25.86 67.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.767 HD21 ' O ' ' A' ' 89' ' ' VAL . 0.9 OUTLIER -57.77 -41.1 81.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.122 HG13 HD12 ' A' ' 48' ' ' LEU . 44.8 t -60.07 -40.28 82.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.706 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -61.88 -14.81 37.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.605 ' SG ' HG11 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -77.29 -68.44 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 108.292 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -56.0 -19.68 13.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -61.16 -23.28 65.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.467 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 21.0 t-20 -102.83 -11.46 18.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.06 10.44 39.67 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD12 HG12 ' A' ' 98' ' ' VAL . 72.4 mt -77.93 -179.69 6.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -60.71 165.44 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.767 ' O ' HD21 ' A' ' 79' ' ' LEU . 8.9 t -106.41 -10.74 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.607 ' O ' HD23 ' A' ' 94' ' ' LEU . 71.0 m -94.36 150.57 20.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.741 HD12 HD11 ' A' ' 59' ' ' LEU . 6.1 mt -58.42 -25.38 62.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.7 m -52.29 -20.91 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.496 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -120.45 32.05 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.2 mm? -109.75 -177.51 3.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p 74.8 31.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.443 HD11 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -115.79 -161.12 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.35 68.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.605 HG11 ' SG ' ' A' ' 82' ' ' CYS . 15.7 m -77.25 157.15 81.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.706 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 174.39 12.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.02 147.51 33.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.506 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.05 -163.52 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -99.65 -30.66 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.712 ' CE2' HD23 ' A' ' 77' ' ' LEU . 25.8 m-85 -39.04 161.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 171.22 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 8.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.455 ' HB2' HG22 ' A' ' 10' ' ' THR . 13.7 m -46.0 171.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.75 HD22 ' CG ' ' A' ' 74' ' ' PHE . 14.6 mt -52.52 -38.67 60.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' SER . 1.7 t -48.55 -54.46 14.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' HG23 ' A' ' 10' ' ' THR . 1.2 mm-40 -76.18 -33.12 59.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -49.75 -38.32 33.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' ASN . 0.4 OUTLIER -170.17 60.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 44.88 26.36 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 67.42 40.46 91.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.686 ' CG ' HG12 ' A' ' 18' ' ' VAL . 8.8 t-20 -68.58 121.27 80.28 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 0.79 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -9.4 20.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.041 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.686 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.0 p -53.8 -43.76 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.631 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 19.0 m-85 -66.61 -35.02 79.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -38.04 82.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -52.53 -44.8 65.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -73.93 -50.65 19.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -54.11 -19.97 5.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.13 -24.72 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -38.88 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.723 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -75.02 -40.73 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -40.61 143.89 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.94 139.89 53.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.95 -175.87 43.65 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -115.99 47.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.9 p -109.63 -27.17 9.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.82 32.66 10.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -134.54 139.62 45.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.274 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.899 ' O ' HG13 ' A' ' 67' ' ' VAL . 88.3 t -86.11 115.05 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.706 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.1 mt -61.57 -12.09 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.2 -56.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mp -43.06 -39.19 2.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -71.6 -44.77 63.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.592 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -47.63 -45.53 27.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.23 76.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -62.2 -52.98 61.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.637 ' HB2' HG12 ' A' ' 26' ' ' VAL . 37.0 t80 -64.05 -43.42 95.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 46' ' ' SER . 82.2 mt -56.35 -48.67 76.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -47.1 -25.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 43' ' ' LEU . 3.1 mtmt -81.44 25.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' LEU . 82.6 p -93.39 -74.02 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.6 -28.01 0.48 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.131 HD12 HG13 ' A' ' 80' ' ' VAL . 12.0 mt -67.91 160.42 74.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.69 12.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -77.03 -37.62 54.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.28 -63.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.451 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 4.8 mm -54.66 -36.76 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.2 mt -62.18 -51.53 67.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.66 -44.26 2.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -60.46 -45.9 92.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 14.8 mt -55.35 -52.87 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.528 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 26.7 t-105 -54.85 -55.29 31.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -45.3 -43.19 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.667 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.2 tm? -75.97 -30.52 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -71.26 -67.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TRP . 17.3 t70 -38.98 127.57 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.8 m -144.65 -45.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -48.26 -57.91 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 65' ' ' LYS . . . 103.77 82.53 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER 168.32 -42.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.326 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 145.81 -60.97 0.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.4 t -40.06 148.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.592 HD12 ' CB ' ' A' ' 39' ' ' ALA . 36.3 mt -100.37 -176.47 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -143.55 174.62 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.632 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -49.14 -92.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.546 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.54 -50.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -41.03 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.6 t80 -57.73 -40.76 80.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.75 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.7 m-85 -63.08 -16.7 60.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.3 t -89.43 -63.88 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -46.44 -26.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.487 HD22 HH21 ' A' ' 78' ' ' ARG . 0.3 OUTLIER -61.08 -76.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.487 HH21 HD22 ' A' ' 77' ' ' LEU . 1.1 mmp_? -56.08 -37.75 69.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.77 HD21 ' O ' ' A' ' 89' ' ' VAL . 2.2 tt -45.94 -42.28 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.131 HG13 HD12 ' A' ' 48' ' ' LEU . 39.3 t -61.14 -40.58 86.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.75 -17.3 34.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.552 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.6 OUTLIER -77.02 -67.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 108.281 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.604 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -48.58 -24.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.12 -13.13 23.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.4 t30 -115.07 2.45 14.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.93 10.37 75.62 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.6 mt -78.07 164.29 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.459 ' N ' ' OG ' ' A' ' 93' ' ' SER . 1.9 tt0 -42.1 164.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.77 ' O ' HD21 ' A' ' 79' ' ' LEU . 15.6 t -108.11 -6.44 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.25 169.31 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.583 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.3 mt -55.12 -19.78 8.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -67.49 -6.5 19.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -94.8 -15.77 23.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 94' ' ' LEU . 9.2 mt -87.66 179.9 6.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.5 p 82.19 2.64 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.041 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.06 -166.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.08 56.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.552 HG12 ' SG ' ' A' ' 82' ' ' CYS . 23.2 m -52.2 146.13 16.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.776 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.06 174.07 13.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.97 143.51 29.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.557 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.98 -164.11 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 1.3 ttt-85 -99.62 -30.7 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 26.6 m-85 -39.32 161.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -66.35 166.64 11.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' SER . 12.2 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -38.95 154.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 70' ' ' LYS . 9.6 mt -40.44 -35.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.484 ' O ' ' CA ' ' A' ' 14' ' ' SER . 8.0 m -55.69 -52.19 64.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -76.08 -32.74 59.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.85 -38.81 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -168.37 60.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.484 ' CA ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 44.05 26.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 71.51 51.81 15.1 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.689 ' CG ' HG12 ' A' ' 18' ' ' VAL . 23.9 t-20 -88.01 116.18 65.39 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.43 21.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.689 HG12 ' CG ' ' A' ' 16' ' ' ASN . 11.9 p -46.49 -38.97 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.631 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 12.9 m-85 -65.82 -41.22 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -39.84 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -44.95 -50.56 10.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 15.7 m-85 -70.24 -42.43 72.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.793 ' CE1' HG21 ' A' ' 34' ' ' VAL . 7.3 t80 -54.11 -29.25 44.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.49 -26.83 29.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -34.35 75.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -81.74 -35.66 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.1 tt0 -48.4 143.64 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.342 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -113.29 165.29 12.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.88 -168.66 1.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -120.54 47.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.8 p -99.98 -34.66 10.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.74 30.01 7.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -134.56 145.37 48.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.901 ' O ' HG13 ' A' ' 67' ' ' VAL . 55.3 t -93.21 112.61 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -59.7 -13.42 9.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 84.86 -54.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -41.74 -41.32 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -73.45 -42.19 62.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.815 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -52.23 -39.4 60.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.711 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -69.62 -30.0 67.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.92 -49.9 47.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 78.8 t80 -62.39 -34.39 76.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.8 mt -68.87 -46.92 67.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -21.31 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.81 0.69 22.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.7 p -69.58 -72.88 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 159.67 -27.13 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.639 HD12 HG13 ' A' ' 80' ' ' VAL . 12.0 mt -68.9 162.13 66.76 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 168.27 25.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -75.7 -33.6 60.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.71 -67.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -51.41 -37.75 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.558 HD23 HD12 ' A' ' 56' ' ' ILE . 9.7 mt -62.13 -50.04 73.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.48 -46.89 2.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -58.74 -45.67 89.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.558 HD12 HD23 ' A' ' 53' ' ' LEU . 33.7 mt -56.66 -50.19 75.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.711 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 13.9 t-105 -55.38 -58.93 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -47.26 -39.66 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.598 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.7 tm? -74.77 -31.03 61.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -77.2 -69.05 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 57' ' ' TRP . 13.4 t70 -37.22 128.24 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 m -157.66 -44.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -43.98 -47.76 8.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.0 -63.54 0.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -72.82 140.2 47.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -37.94 -45.08 1.56 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.901 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.6 t -39.39 148.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.815 HD12 ' CB ' ' A' ' 39' ' ' ALA . 26.9 mt -100.58 170.17 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -127.3 179.27 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.684 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -54.31 -96.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.55 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.07 -50.45 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 3.9 mp0 -41.51 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.666 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 25.6 t80 -59.55 -36.74 76.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.6 m-85 -66.96 -17.0 64.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 76' ' ' ALA . 2.2 t -86.31 -66.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.991 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.88 -27.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.514 HD13 ' HD1' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -61.81 -78.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -53.06 -38.07 62.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.582 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.6 tt -49.11 -44.24 42.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.991 HG23 ' O ' ' A' ' 76' ' ' ALA . 73.0 t -55.6 -38.1 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.518 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -64.76 -12.67 49.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 6.9 t -73.75 -73.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -51.27 -25.23 5.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.416 ' N ' HD11 ' A' ' 48' ' ' LEU . 2.2 mm-40 -53.53 -30.35 41.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.462 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 3.7 t30 -108.86 21.16 17.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.09 13.82 73.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 74.8 mt -77.95 161.89 27.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.54 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -43.21 166.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.549 HG12 ' CG1' ' A' ' 56' ' ' ILE . 1.8 t -113.32 -13.23 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.811 ' O ' HD23 ' A' ' 94' ' ' LEU . 60.5 m -94.37 149.74 20.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD23 ' CB ' ' A' ' 94' ' ' LEU . 6.5 mt -63.26 -21.76 66.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.3 m -59.7 -15.26 18.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.54 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -126.02 32.49 5.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.811 HD23 ' O ' ' A' ' 90' ' ' SER . 4.1 mm? -111.96 -178.59 3.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.1 p 79.23 27.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.946 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.69 -160.52 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.57 70.35 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 m -78.02 148.14 74.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.518 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.551 1.816 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 146.79 32.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.529 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -163.82 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -99.76 -30.85 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 25.7 m-85 -39.0 161.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -67.9 169.33 10.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.569 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -177.85 179.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.911 HD22 ' CG ' ' A' ' 74' ' ' PHE . 15.8 mt -77.65 -39.79 43.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' GLY . 68.1 p -51.11 -64.31 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -57.2 -29.98 64.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -16.68 14.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -149.51 21.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.6 OUTLIER 58.92 16.05 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 104.36 52.16 0.89 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 7.0 t-20 -134.32 109.37 11.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.02 2.53 6.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.9 p -42.98 -36.76 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.003 ' CE2' HD13 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -65.7 -42.21 91.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -45.44 -39.37 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -51.66 -64.36 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 6.3 m-30 -56.76 -44.27 81.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -54.13 -32.36 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.6 -25.43 28.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -37.16 83.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' CG2' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -78.92 -37.78 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -41.14 138.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -112.48 132.04 55.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.89 -171.2 42.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -121.84 51.44 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.9 p -113.37 -14.41 12.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.392 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.63 66.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.5 145.84 40.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.826 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.0 t -99.56 115.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.1 mt -62.29 -11.99 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 80.16 -54.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -41.08 -41.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -70.59 -45.41 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.752 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -50.24 -42.25 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.85 -30.88 71.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.81 -49.1 50.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 35.3 t80 -62.57 -37.41 86.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.0 mt -63.1 -43.81 97.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -22.19 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.96 -4.09 30.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 85.2 p -67.64 -73.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.55 -23.75 0.5 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.753 HD12 HG13 ' A' ' 80' ' ' VAL . 23.4 mt -70.92 161.24 79.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.511 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.97 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.22 -31.39 12.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.83 -63.78 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.506 HG21 ' HB1' ' A' ' 83' ' ' ALA . 3.5 mm -57.21 -35.15 47.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 49' ' ' PRO . 5.4 mt -64.49 -45.0 89.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.85 -46.95 9.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -43.8 98.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.664 HG23 HD13 ' A' ' 79' ' ' LEU . 4.0 mt -57.02 -56.03 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.546 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 21.6 t-105 -55.32 -55.01 36.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -45.72 -42.12 11.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.883 HD11 HD12 ' A' ' 91' ' ' LEU . 1.7 tm? -77.15 -30.42 55.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.14 -61.29 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' ALA . 22.1 t70 -39.18 132.15 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -165.89 -42.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.386 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -62.42 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.17 115.35 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.86 163.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.434 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 85.09 -15.57 43.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.155 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.826 HG13 ' O ' ' A' ' 34' ' ' VAL . 6.2 t -152.71 150.23 12.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.774 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.752 HD12 ' CB ' ' A' ' 39' ' ' ALA . 49.0 mt -106.05 163.99 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.6 m -118.6 -174.09 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.483 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -59.89 -97.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.532 ' N ' HD21 ' A' ' 9' ' ' LEU . 38.6 mt-30 -37.5 -37.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -55.91 -25.77 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.911 ' CG ' HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -82.0 -2.07 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 91' ' ' LEU . 1.9 t -104.63 -51.92 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.887 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -57.06 -29.35 63.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.003 HD13 ' CE2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -51.57 -71.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.538 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 2.6 mmp_? -60.74 -41.45 95.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.664 HD13 HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -45.87 -40.68 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 76' ' ' ALA . 75.1 t -58.74 -43.99 89.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.32 -18.31 26.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -67.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.337 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.646 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -52.58 -21.47 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.464 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -69.31 -14.53 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 21.8 t-20 -109.36 -4.84 16.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.74 10.31 67.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.9 mt -77.85 -179.02 5.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 1.8 tp10 -59.28 163.15 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.511 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 3.1 t -105.57 -10.55 9.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.491 ' O ' HD23 ' A' ' 94' ' ' LEU . 14.6 m -94.53 140.74 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.883 HD12 HD11 ' A' ' 59' ' ' LEU . 5.7 mt -54.02 -25.24 20.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.6 m -54.31 -19.47 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.503 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.28 29.84 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.2 mm? -108.74 -177.36 3.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 p 74.59 32.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.965 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -113.99 -162.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.12 61.81 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 10.5 m -70.89 148.33 94.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.464 ' CG ' ' HB2' ' A' ' 85' ' ' ASN . 18.3 Cg_endo -74.98 174.07 13.41 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.04 142.99 28.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.556 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.02 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 103' ' ' PHE . 1.4 ttt180 -100.67 -30.87 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 26.6 m-85 -38.85 161.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -65.9 146.12 55.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.547 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.67 145.85 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.733 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.6 mt -41.88 -41.08 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 14' ' ' SER . 8.4 m -52.99 -59.78 4.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -61.58 -30.39 70.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -45.52 -54.95 6.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -149.85 49.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 59.14 12.6 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 93.39 55.06 1.61 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.687 ' CG ' HG12 ' A' ' 18' ' ' VAL . 32.3 t-20 -106.8 118.32 54.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.59 8.72 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.687 HG12 ' CG ' ' A' ' 16' ' ' ASN . 9.3 p -56.1 -41.28 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.007 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -67.04 -35.16 79.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 111.051 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.543 ' OE1' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.53 -35.88 78.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -43.44 20.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 14.1 m-85 -71.13 -45.17 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.832 ' CE2' HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -54.33 -32.44 56.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -27.79 51.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.29 -34.74 78.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.69 HG23 HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.68 -10.57 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.78 140.38 58.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.494 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -129.21 156.27 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.91 -177.01 53.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.55 1.156 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -114.78 47.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.746 . . . . 0.0 109.251 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.8 p -111.35 -30.58 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.57 27.31 15.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -128.6 155.91 44.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.917 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.9 t -86.69 111.14 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.655 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.9 mt -61.73 -12.35 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.671 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 81.8 -54.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -40.74 -57.98 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.67 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -58.41 -40.22 81.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -47.31 -51.56 18.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.86 -27.43 65.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -67.92 -50.15 57.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 46.5 t80 -66.14 -30.88 71.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.9 mt -64.59 -47.43 78.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -19.73 3.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -78.87 6.31 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.559 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 92.7 p -80.35 -78.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.987 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.43 -27.98 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.773 HD12 HG13 ' A' ' 80' ' ' VAL . 17.6 mt -66.54 161.12 62.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -75.02 -165.22 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.562 1.822 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -95.16 -35.41 11.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.642 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.76 -54.13 49.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.642 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.2 mm -61.39 -35.76 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 49' ' ' PRO . 7.8 mt -64.72 -50.12 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.33 -43.26 3.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.587 1.18 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HB2' HG11 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -63.63 -43.04 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.656 HG12 HD22 ' A' ' 79' ' ' LEU . 21.9 mt -57.21 -56.25 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.526 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 18.0 t-105 -55.48 -54.54 42.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 108.038 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -44.1 -46.66 8.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.865 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.06 -29.63 60.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -69.25 -67.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ALA . 1.1 t70 -37.85 126.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 m -160.17 -43.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -61.73 -39.05 90.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.91 173.0 18.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.89 -79.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 169.09 -44.09 0.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.917 HG13 ' O ' ' A' ' 34' ' ' VAL . 28.2 t -40.31 147.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.444 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 42.3 mt -100.99 174.11 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -129.62 -152.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.733 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -76.7 -89.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.62 -50.72 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.41 -67.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.704 ' CE1' HD12 ' A' ' 77' ' ' LEU . 2.0 t80 -58.67 -44.8 90.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.682 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -63.23 -10.98 17.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.6 t -94.61 -57.38 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.684 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -52.85 -29.62 29.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.007 HD13 ' CZ ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -65.55 -71.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.597 ' HE ' ' HH ' ' A' ' 19' ' ' TYR . 0.1 OUTLIER -50.83 -41.47 57.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.656 HD22 HG12 ' A' ' 56' ' ' ILE . 2.2 tt -45.86 -44.76 14.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.773 HG13 HD12 ' A' ' 48' ' ' LEU . 83.3 t -52.59 -42.73 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.68 -18.76 44.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -72.82 -72.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.666 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -51.34 -22.41 2.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -59.66 -27.05 66.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 11.0 t-20 -99.98 -13.12 19.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.64 11.88 34.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.567 HD12 HG12 ' A' ' 98' ' ' VAL . 89.1 mt -77.85 176.53 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.484 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 4.5 tt0 -55.68 166.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.342 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.678 HG11 ' HB2' ' A' ' 55' ' ' LYS . 23.2 t -106.33 -11.79 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.621 ' O ' HD23 ' A' ' 94' ' ' LEU . 7.0 m -94.67 149.86 20.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.703 ' HA ' HD23 ' A' ' 94' ' ' LEU . 5.6 mt -57.1 -24.16 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -52.03 -21.24 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.484 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -121.49 32.49 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.3 mm? -109.2 -177.62 3.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 p 68.29 38.17 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.472 HD11 ' O ' ' A' ' 93' ' ' SER . 0.9 OUTLIER -117.25 -160.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.61 58.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.567 HG12 HD12 ' A' ' 87' ' ' LEU . 5.3 m -71.66 156.36 91.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.509 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 174.03 13.5 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.04 147.25 33.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.534 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.96 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.9 OUTLIER -99.89 -31.14 11.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.689 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.2 m-85 -39.28 161.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -65.9 174.96 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.571 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' SER . 8.3 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -39.24 155.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 70' ' ' LYS . 11.1 mt -41.13 -37.04 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' SER . 15.6 m -52.87 -51.66 60.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -33.0 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.27 -42.55 31.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.99 57.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 54.92 18.56 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 75.48 37.08 41.99 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.627 ' OD1' HG12 ' A' ' 18' ' ' VAL . 5.7 t-20 -62.42 118.8 44.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.795 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.04 -21.52 15.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.627 HG12 ' OD1' ' A' ' 16' ' ' ASN . 13.4 p -42.39 -46.9 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.66 ' CE1' ' NH2' ' A' ' 78' ' ' ARG . 6.8 m-85 -65.19 -37.12 86.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -57.6 -34.65 69.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -50.79 71.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 37.7 m-85 -68.66 -45.34 72.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.8 t80 -54.13 -26.65 28.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.42 -23.24 24.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -64.84 -39.65 93.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.733 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -71.64 -38.88 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -41.75 129.49 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -117.59 164.65 14.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.72 -177.51 2.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -106.11 39.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.7 HG23 ' H ' ' A' ' 33' ' ' ARG . 2.0 t -90.79 -16.73 27.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.31 1.93 82.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.573 1.171 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.7 ' H ' HG23 ' A' ' 31' ' ' THR . 0.8 OUTLIER -120.35 160.38 23.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 110.314 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.922 ' O ' HG13 ' A' ' 67' ' ' VAL . 85.4 t -81.86 119.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.69 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.5 mt -61.46 -12.22 13.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.705 ' H ' HG12 ' A' ' 34' ' ' VAL . . . 84.67 -56.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.66 -46.84 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.656 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -65.82 -36.05 82.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.613 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.56 -52.47 47.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.71 -24.65 66.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -69.05 -56.71 6.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.613 ' HB2' HG12 ' A' ' 26' ' ' VAL . 50.1 t80 -66.02 -28.06 68.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.56 -48.9 36.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -54.36 -23.41 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -75.4 -2.75 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 59.1 p -66.11 -71.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 161.24 -26.82 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.072 HD12 HG13 ' A' ' 80' ' ' VAL . 16.1 mt -68.21 161.89 64.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -169.92 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -92.99 -36.2 12.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.497 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -59.82 -53.47 57.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.497 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.2 mt -61.78 -35.83 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.0 mt -64.22 -52.35 59.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.11 -50.15 2.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -46.03 88.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 109.286 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.874 HG23 HD13 ' A' ' 79' ' ' LEU . 5.2 mt -56.49 -53.13 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' ALA . 14.3 t-105 -55.66 -57.09 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 108.006 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -45.3 -43.51 10.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.067 HD11 HD12 ' A' ' 91' ' ' LEU . 1.9 tm? -74.28 -31.4 62.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -72.05 -68.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' ALA . 21.1 t70 -37.7 127.25 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.79 -44.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -56.71 -47.2 80.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.8 173.55 16.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.8 tttt 72.7 -75.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 165.49 -48.7 0.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.922 HG13 ' O ' ' A' ' 34' ' ' VAL . 41.9 t -39.98 145.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.613 HD12 ' CB ' ' A' ' 39' ' ' ALA . 71.9 mt -101.35 -169.19 1.66 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -147.61 -163.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' HB3' HD11 ' A' ' 9' ' ' LEU . 27.5 mttt -65.36 -91.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -43.17 -50.37 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.54 -68.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.717 ' CE1' HD12 ' A' ' 77' ' ' LEU . 29.0 t80 -61.71 -35.9 79.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.5 m-85 -70.36 -8.99 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.621 HG11 HD11 ' A' ' 91' ' ' LEU . 2.2 t -93.79 -56.9 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -54.3 -26.44 29.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.819 HD22 ' NH2' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -62.81 -74.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.819 ' NH2' HD22 ' A' ' 77' ' ' LEU . 9.3 mmp_? -50.58 -41.28 54.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.874 HD13 HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -44.71 -41.44 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.072 HG13 HD12 ' A' ' 48' ' ' LEU . 71.9 t -59.88 -41.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.843 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -61.78 -19.11 62.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.54 -72.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -53.68 -24.28 13.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 2.7 mm-40 -55.71 -18.98 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.6 t-20 -115.39 20.23 14.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.31 12.1 82.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.7 mt -77.65 170.66 16.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.518 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 3.0 tp10 -52.33 169.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 24.7 t -111.06 -15.24 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.407 ' O ' HD23 ' A' ' 94' ' ' LEU . 42.5 m -94.89 139.28 31.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.067 HD12 HD11 ' A' ' 59' ' ' LEU . 5.3 mt -51.4 -22.53 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -53.54 -20.23 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.518 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.8 29.41 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' CB ' HD23 ' A' ' 91' ' ' LEU . 3.5 mm? -108.34 -179.78 3.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.0 p 83.31 19.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.036 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.8 -161.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.7 59.13 3.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 4.0 m -64.05 142.43 98.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.843 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.02 174.71 12.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.55 1.816 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.93 148.3 35.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -165.13 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.442 1.759 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.58 -30.39 12.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.668 ' CE2' HD23 ' A' ' 77' ' ' LEU . 27.2 m-85 -38.93 161.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.41 ' CD2' ' H ' ' A' ' 104' ' ' HIS . 4.0 m-70 -65.63 143.21 57.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 7' ' ' LEU . 5.1 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -39.97 156.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.1 mt -41.46 -40.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' SER . 14.6 p -47.89 -53.48 15.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.436 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -31.94 58.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.44 -42.82 43.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.2 56.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 57.52 16.78 3.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.433 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.3 43.08 39.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.704 ' CG ' HG12 ' A' ' 18' ' ' VAL . 10.5 t-20 -66.03 122.15 79.69 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.03 -19.57 17.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.704 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.0 p -43.65 -44.93 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.8 m-85 -65.87 -35.21 80.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -60.14 -34.07 73.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -58.28 -44.0 88.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -74.56 -47.23 33.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.5 t80 -53.75 -23.33 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.36 -22.51 18.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -37.59 86.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.604 HG23 ' CG2' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -79.04 -24.34 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.93 138.7 57.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.2 165.9 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.29 -175.41 2.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -116.02 33.47 5.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.3 p -83.57 -36.46 23.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.13 21.74 10.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.11 149.03 52.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 0.727 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.938 ' O ' HG13 ' A' ' 67' ' ' VAL . 4.6 p -101.5 110.15 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.715 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -56.6 -15.95 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.42 -47.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 36' ' ' ALA . 8.2 mp -38.27 -50.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.549 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -65.47 -45.24 84.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -46.65 -49.98 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -58.52 -31.12 67.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.02 -52.44 24.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.502 ' HB2' HG12 ' A' ' 26' ' ' VAL . 47.8 t80 -55.35 -46.63 76.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.2 mt -49.16 -48.67 44.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 46' ' ' SER . 2.9 mttp -50.44 -21.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.0 mttm -80.94 19.02 0.91 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 82.9 p -93.24 -75.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 168.03 -30.59 0.17 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.887 HD12 HG13 ' A' ' 80' ' ' VAL . 16.2 mt -67.17 161.71 61.16 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -168.48 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -93.08 -37.6 12.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.529 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.44 -51.38 70.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.529 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.1 mt -64.41 -35.04 73.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.3 mt -63.17 -55.01 28.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.69 -46.4 2.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -58.87 -45.34 90.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.524 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 8.9 mt -56.97 -56.53 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.66 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 15.8 t-105 -52.95 -53.95 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -24.91 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.886 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.5 tm? -94.49 -27.52 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -78.39 -60.45 2.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 60' ' ' ALA . 4.8 t70 -38.51 128.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -143.47 -45.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -51.87 -43.52 63.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.21 -66.53 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -41.58 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.6 -46.58 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.938 HG13 ' O ' ' A' ' 34' ' ' VAL . 46.2 t -40.89 146.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.629 ' HB2' HG11 ' A' ' 34' ' ' VAL . 26.9 mt -101.04 175.47 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.4 m -133.36 -166.13 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.759 ' HB3' HD11 ' A' ' 9' ' ' LEU . 16.6 mttt -64.71 -91.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.14 -51.05 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -40.12 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 40.6 t80 -60.63 -32.93 72.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.9 m-85 -72.75 -8.22 54.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 76' ' ' ALA . 1.8 t -94.78 -63.47 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.491 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -49.72 -27.02 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -57.86 -75.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -56.64 -37.37 70.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.551 ' CD1' HD12 ' A' ' 59' ' ' LEU . 2.1 tt -46.05 -43.92 14.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.887 HG13 HD12 ' A' ' 48' ' ' LEU . 4.6 t -58.09 -44.65 87.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.656 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -57.98 -23.06 52.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -70.29 -63.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.64 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -56.24 -19.72 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -5.66 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.481 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 53.2 t30 -107.88 -15.78 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.02 3.06 36.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mt -78.89 173.77 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -50.47 169.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.524 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 25.5 t -107.19 -0.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -94.67 165.36 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.886 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.4 mt -57.27 -18.98 19.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -7.18 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.172 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -95.5 -21.46 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.626 HD12 ' CD2' ' A' ' 91' ' ' LEU . 9.0 mt -77.42 -179.19 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 p 72.45 11.3 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 93' ' ' SER . 2.1 mt -114.05 -162.39 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.36 55.48 2.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 p -56.51 132.39 77.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.656 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 175.08 11.71 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -74.97 140.99 26.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.56 1.821 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.555 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.06 -164.29 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.83 -30.26 12.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 30.2 m-85 -38.46 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -67.03 142.99 57.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.092 . . . . 0.0 109.241 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.18 147.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 70' ' ' LYS . 2.7 mt -47.45 -35.31 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 14' ' ' SER . 20.4 m -58.28 -47.43 83.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -32.95 58.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -47.84 -43.72 28.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.43 56.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 57.66 16.44 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.98 51.18 5.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.638 ' CG ' HG12 ' A' ' 18' ' ' VAL . 39.3 t-20 -83.57 120.53 75.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -74.99 -14.85 21.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.793 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.638 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.2 p -43.38 -36.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.657 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 5.8 m-85 -67.0 -42.17 85.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -48.69 -36.74 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -65.31 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 11.7 m-85 -56.61 -45.32 81.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 3.3 t80 -54.76 -28.74 50.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -86.41 -22.4 26.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -31.3 71.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.616 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -88.27 -30.9 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -48.96 144.21 4.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.245 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.579 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -141.15 168.15 20.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.44 171.88 1.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -92.35 22.32 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.735 HG23 ' H ' ' A' ' 33' ' ' ARG . 1.7 t -74.14 -30.12 62.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.28 7.48 82.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.735 ' H ' HG23 ' A' ' 31' ' ' THR . 3.2 mtt180 -123.97 171.5 9.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.91 ' O ' HG13 ' A' ' 67' ' ' VAL . 71.4 t -85.23 118.71 32.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.654 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.0 mt -63.01 -10.96 15.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.69 ' H ' HG12 ' A' ' 34' ' ' VAL . . . 80.6 -55.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -44.5 -50.36 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.593 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -66.81 -37.15 83.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -50.52 -46.9 57.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -64.47 -29.33 70.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -63.49 -60.42 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 52.5 t80 -66.26 -49.82 65.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.8 mt -49.38 -45.96 46.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -53.8 -23.06 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.532 ' HB3' ' CD2' ' A' ' 104' ' ' HIS . 23.1 mttm -76.59 -1.34 27.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.804 ' HB2' HG11 ' A' ' 80' ' ' VAL . 92.0 p -60.08 -70.12 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 155.59 -23.52 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.905 HD12 HG13 ' A' ' 80' ' ' VAL . 44.1 mt -73.29 159.72 84.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.682 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.03 -168.35 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.63 -36.0 19.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.761 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.41 -67.52 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.417 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 8.8 mm -52.32 -37.24 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 49' ' ' PRO . 12.0 mt -60.62 -51.88 67.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.93 -44.58 2.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -44.59 95.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.703 HG23 HD13 ' A' ' 79' ' ' LEU . 29.9 mt -53.71 -55.32 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 5.9 t-105 -55.08 -56.81 15.63 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.2 -40.5 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.692 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.9 tm? -75.98 -32.1 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -67.25 -61.65 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.1 t70 -38.97 126.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -174.26 -51.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.97 -63.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.04 -130.94 5.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.35 -49.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . -110.04 12.04 31.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.445 1.091 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 34' ' ' VAL . 41.5 t -142.23 145.83 23.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 39' ' ' ALA . 35.4 mt -101.55 -167.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.66 174.71 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.82 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -46.77 -90.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -38.44 -53.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.76 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 48.4 t80 -53.35 -33.47 53.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.0 m-85 -67.12 -20.73 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 76' ' ' ALA . 1.7 t -84.72 -65.64 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.47 -28.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.953 HD23 ' CZ ' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -62.46 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.503 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.6 OUTLIER -53.11 -22.34 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.873 ' HA ' HD11 ' A' ' 94' ' ' LEU . 1.2 tt -60.54 -40.24 90.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.905 HG13 HD12 ' A' ' 48' ' ' LEU . 56.0 t -56.12 -43.06 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.892 ' HB2' ' HG3' ' A' ' 101' ' ' PRO . . . -56.53 -18.26 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.0 t -72.41 -68.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -58.49 -23.37 57.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -53.45 -28.58 31.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -99.65 -18.62 17.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.41 11.09 20.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.82 179.47 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.404 ' HB3' ' CB ' ' A' ' 93' ' ' SER . 3.7 tt0 -57.82 170.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.519 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 3.2 t -116.04 -3.75 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.736 ' O ' HD23 ' A' ' 94' ' ' LEU . 47.9 m -94.48 151.58 19.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.692 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.5 mt -59.44 -21.33 59.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -61.63 -13.77 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.025 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.435 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -128.3 32.31 4.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.873 HD11 ' HA ' ' A' ' 79' ' ' LEU . 4.2 mm? -110.19 -177.83 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 p 65.92 37.45 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.962 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 93' ' ' SER . 6.1 mt -106.73 -156.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -108.4 58.75 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.0 m -75.86 157.19 84.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.33 12.96 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.81 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.88 3.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.892 ' HG3' ' HB2' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 150.99 38.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.615 ' O ' ' CD2' ' A' ' 103' ' ' PHE . 3.6 mmt180 -99.3 167.62 10.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.953 ' CZ ' HD23 ' A' ' 77' ' ' LEU . 51.1 m-85 -168.79 179.29 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CD2' ' HB3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -82.06 169.33 16.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.617 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 p -45.93 169.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.052 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.787 HD22 ' CG ' ' A' ' 74' ' ' PHE . 26.0 mt -45.6 -34.86 3.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 14' ' ' SER . 1.0 OUTLIER -47.81 -53.66 14.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.35 -31.7 58.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.3 tm? -49.3 -42.86 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.2 56.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 58.09 16.3 3.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.49 34.1 57.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.738 ' CG ' HG12 ' A' ' 18' ' ' VAL . 9.3 t-20 -52.92 113.62 4.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.02 -19.06 18.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.738 HG12 ' CG ' ' A' ' 16' ' ' ASN . 7.4 p -47.64 -48.66 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.69 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -67.09 -34.55 77.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -57.08 -43.4 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -45.47 -45.03 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 96.9 m-85 -69.13 -45.53 69.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.645 ' CE2' HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -54.53 -32.93 59.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' NH2' ' O ' ' A' ' 29' ' ' GLY . 1.7 tpm_? -71.59 -33.74 69.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -61.77 -33.78 74.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.605 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -87.71 -40.14 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.3 tt0 -60.61 141.12 57.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -106.33 160.52 15.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' O ' ' NH2' ' A' ' 24' ' ' ARG . . . 54.62 171.56 0.06 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -99.12 32.14 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 0.808 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.2 p -86.45 -32.65 20.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.48 29.71 8.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -124.48 130.8 53.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 67' ' ' VAL . 41.3 t -81.82 114.28 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -60.72 -11.98 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.741 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 79.62 -54.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.6 -51.13 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -66.7 -37.39 84.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.566 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.19 -48.11 62.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -26.69 68.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -72.54 -48.18 42.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.605 ' HB2' HG12 ' A' ' 26' ' ' VAL . 14.2 t80 -64.57 -42.1 95.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 46' ' ' SER . 72.8 mt -50.85 -47.35 60.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' A' ' 46' ' ' SER . 2.6 mtmt -51.44 -21.5 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -80.36 13.25 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . 60.6 p -89.46 -72.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.47 -32.84 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.863 HD12 HG13 ' A' ' 80' ' ' VAL . 8.1 mt -68.69 161.17 73.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.86 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.0 -171.63 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -89.91 -24.29 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.823 HD12 HG12 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -58.44 -79.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.823 HG12 HD12 ' A' ' 51' ' ' LEU . 2.5 mm -47.85 -35.74 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.86 HD12 ' O ' ' A' ' 49' ' ' PRO . 7.3 mt -59.5 -49.93 75.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.88 -38.54 5.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -65.25 -41.76 93.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 0.727 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.714 HG12 HD22 ' A' ' 79' ' ' LEU . 28.0 mt -57.23 -55.76 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.741 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 18.2 t-105 -55.01 -53.95 49.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 108.021 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -44.93 -42.94 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.962 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.8 tm? -78.58 -29.31 46.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.521 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -69.96 -66.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 32.3 t70 -37.8 128.04 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -156.05 -44.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.2 -45.66 92.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.97 69.13 1.42 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.655 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -164.55 30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . 44.96 27.09 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 34' ' ' VAL . 80.7 t -136.84 143.2 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.566 HD12 ' CB ' ' A' ' 39' ' ' ALA . 22.8 mt -98.86 174.12 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.3 170.68 14.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -46.49 -87.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.07 -57.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.55 -73.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.598 ' CE1' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -49.53 -36.28 22.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.787 ' CG ' HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -71.63 -19.39 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -82.38 -56.55 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.504 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -50.8 -48.31 59.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 42' ' ' PHE . 2.6 mt -47.13 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' NE ' ' OH ' ' A' ' 19' ' ' TYR . 1.5 mmp_? -55.43 -31.41 61.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.714 HD22 HG12 ' A' ' 56' ' ' ILE . 2.8 tt -56.1 -42.18 76.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.863 HG13 HD12 ' A' ' 48' ' ' LEU . 86.3 t -56.26 -38.95 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.35 -15.32 57.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.9 -72.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.02 -25.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.69 -22.5 46.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -100.86 -25.26 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.72 8.43 15.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 mt -77.63 160.61 28.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.68 161.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.706 HG21 HG23 ' A' ' 52' ' ' ILE . 38.7 t -99.57 1.71 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -94.39 165.13 12.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.962 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.7 mt -56.91 -18.89 14.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.46 -8.64 27.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 58.9 p -98.66 -15.24 19.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 91' ' ' LEU . 10.0 mt -86.82 179.56 6.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.7 p 75.5 4.03 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -109.9 -167.03 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.62 71.84 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.6 m -73.11 151.63 90.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.701 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.01 174.24 13.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.1 Cg_endo -75.03 144.96 30.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.558 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.98 -163.69 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.74 -30.89 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 28.4 m-85 -39.11 161.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -68.88 172.12 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.577 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 7' ' ' LEU . 6.3 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 p -83.4 -178.39 7.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.645 ' CD2' ' CG ' ' A' ' 74' ' ' PHE . 3.9 mt -53.98 -34.63 60.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 14' ' ' SER . 10.2 m -48.53 -48.36 38.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -34.06 59.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.546 HD23 ' OE1' ' A' ' 71' ' ' GLN . 3.2 tm? -46.49 -44.33 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.22 57.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 58.42 15.71 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 75.43 32.17 55.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.665 ' CG ' HG12 ' A' ' 18' ' ' VAL . 7.1 t-20 -50.23 118.42 9.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.759 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -75.04 -23.8 13.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.665 HG12 ' CG ' ' A' ' 16' ' ' ASN . 12.3 p -41.83 -50.67 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.646 ' CZ ' ' NH1' ' A' ' 78' ' ' ARG . 4.5 m-85 -65.32 -34.42 78.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -55.23 -35.18 64.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -43.66 84.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -74.69 -47.18 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 1.5 t80 -54.59 -22.01 12.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -23.17 19.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.48 -38.53 87.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.56 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -76.03 -42.5 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.07 143.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.433 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -112.92 132.4 55.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.96 -169.91 44.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.03 46.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.1 p -105.35 -20.02 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.407 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.57 4.51 85.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 111.037 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -101.71 130.5 48.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.763 ' O ' HG13 ' A' ' 67' ' ' VAL . 92.6 t -84.61 106.93 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.7 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.2 mt -55.83 -17.16 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.36 -51.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' ALA . 2.3 mp -40.06 -49.8 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.611 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -67.25 -42.04 84.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.518 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -46.54 -51.78 14.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -59.8 -30.19 68.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -66.22 -52.85 43.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.447 ' HB2' HG12 ' A' ' 26' ' ' VAL . 34.9 t80 -64.98 -37.52 87.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 40' ' ' ALA . 54.2 mt -55.91 -49.66 72.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.455 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -48.25 -23.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -81.48 23.75 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.509 ' HB2' HG11 ' A' ' 80' ' ' VAL . 84.8 p -92.78 -77.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 161.08 -28.47 0.3 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.061 HD12 HG13 ' A' ' 80' ' ' VAL . 12.9 mt -67.31 161.65 62.41 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.431 0.724 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.54 -35.93 63.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.8 -62.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.96 HG23 HG21 ' A' ' 89' ' ' VAL . 5.7 mm -56.68 -35.79 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.684 HD23 HD12 ' A' ' 56' ' ' ILE . 11.5 mt -62.1 -51.52 67.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.48 -37.94 3.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -41.03 91.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.692 HG12 HD22 ' A' ' 79' ' ' LEU . 36.7 mt -56.89 -56.46 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.676 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 16.3 t-105 -55.61 -55.96 25.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -47.91 -31.49 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.69 HD11 HD12 ' A' ' 91' ' ' LEU . 2.3 tm? -86.93 -29.35 22.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -75.7 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' TRP . 33.5 t70 -37.41 125.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -153.02 -44.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -61.55 -44.15 97.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.8 177.37 22.32 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt 74.69 -62.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 153.03 -50.14 0.51 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 34' ' ' VAL . 19.2 t -39.47 150.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.518 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 82.8 mt -101.83 163.27 12.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -109.31 -161.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -68.81 -98.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.546 ' OE1' HD23 ' A' ' 12' ' ' LEU . 2.6 mm-40 -45.43 -34.07 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.01 -71.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 8.1 t80 -57.44 -48.61 78.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.645 ' CG ' ' CD2' ' A' ' 9' ' ' LEU . 1.7 m-85 -54.44 -25.94 27.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -75.48 -58.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.516 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -46.37 -27.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.714 HD23 ' CE2' ' A' ' 103' ' ' PHE . 1.9 mt -63.38 -77.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.646 ' NH1' ' CZ ' ' A' ' 19' ' ' TYR . 7.3 mmp_? -49.67 -38.41 32.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.789 HD21 ' O ' ' A' ' 89' ' ' VAL . 0.8 OUTLIER -46.37 -50.81 16.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.061 HG13 HD12 ' A' ' 48' ' ' LEU . 10.3 t -61.76 -45.64 98.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.611 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -56.11 -27.02 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.463 ' CA ' HG23 ' A' ' 98' ' ' VAL . 3.4 t -74.69 -63.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 108.302 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.84 -18.46 44.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 1.9 mm-40 -60.39 -13.86 15.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.3 t-20 -99.88 -10.56 21.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.7 4.24 49.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.81 174.31 11.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.485 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -43.83 166.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.96 HG21 HG23 ' A' ' 52' ' ' ILE . 34.3 t -115.02 -10.17 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.773 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -94.67 154.58 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.69 HD12 HD11 ' A' ' 59' ' ' LEU . 8.1 mt -65.76 -24.81 67.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -56.41 -17.63 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.485 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -124.22 30.44 6.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 90' ' ' SER . 3.4 mm? -102.18 -175.74 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 p 73.05 34.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -116.87 -159.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.96 55.68 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.463 HG23 ' CA ' ' A' ' 82' ' ' CYS . 1.4 p -57.95 118.77 28.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.611 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -74.93 139.2 24.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.575 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.05 -164.39 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.85 -30.25 12.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.714 ' CE2' HD23 ' A' ' 77' ' ' LEU . 30.2 m-85 -38.6 161.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -70.42 174.0 6.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.57 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 11' ' ' GLN . 4.9 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.56 151.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.1 mt -40.31 -36.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 14' ' ' SER . 24.9 m -54.99 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.21 -34.58 72.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -44.5 -42.58 7.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.416 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -165.15 61.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 41.96 28.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.82 48.82 39.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.597 ' CG ' HG12 ' A' ' 18' ' ' VAL . 18.3 t-20 -85.14 115.59 61.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.19 9.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.597 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.2 p -58.86 -39.78 78.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.627 ' CE2' HD13 ' A' ' 77' ' ' LEU . 14.2 m-85 -66.18 -33.38 75.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -33.76 58.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -37.84 86.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' OH ' ' CB ' ' A' ' 105' ' ' ASP . 22.2 m-85 -78.61 -47.5 17.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 1.2 t80 -54.24 -24.3 18.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.57 -22.29 18.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.73 -37.06 82.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.513 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -81.52 -26.03 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.0 143.29 8.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -120.44 145.51 47.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.01 -174.8 55.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.44 41.91 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.0 p -104.77 -26.08 12.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.89 31.79 19.76 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 mtt85 -125.67 137.66 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.829 ' O ' HG13 ' A' ' 67' ' ' VAL . 69.5 t -81.9 103.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.718 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.1 mt -53.39 -17.74 2.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 86.49 -54.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mp -42.6 -54.34 4.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.647 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 1.5 m-20 -58.27 -42.97 87.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.592 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -47.47 -52.19 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.13 49.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -71.0 -55.35 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.513 ' HB2' HG12 ' A' ' 26' ' ' VAL . 51.2 t80 -58.72 -34.44 71.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.66 -45.45 71.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -53.09 -19.49 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -75.65 -1.04 22.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 45.0 p -67.95 -56.58 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.98 -33.43 2.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.044 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 6.2 mp -63.79 165.23 13.1 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.9 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.0 -25.66 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -60.33 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.475 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.5 mm -54.97 -35.97 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.61 HD23 HD12 ' A' ' 56' ' ' ILE . 7.9 mt -63.77 -47.93 79.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.93 -43.11 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -42.4 98.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.984 HG12 HD22 ' A' ' 79' ' ' LEU . 15.2 mt -57.39 -58.0 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.643 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 33.5 t-105 -56.3 -53.58 55.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 107.97 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -43.45 -50.05 7.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.049 HD12 HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -74.86 -27.46 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.543 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -63.04 -58.86 5.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ALA . 36.4 t70 -38.63 126.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 m -152.14 -45.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.45 -51.94 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.85 66.74 0.84 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.44 -60.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' VAL . . . 157.93 -64.26 0.3 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 34' ' ' VAL . 42.5 t -40.29 146.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.592 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 23.3 mt -100.75 169.22 9.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 m -125.91 -174.73 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.845 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.8 mtmm -55.11 -88.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -42.78 -50.99 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.43 -72.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.4 t80 -56.91 -43.44 81.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.7 m-85 -59.96 -17.04 35.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -88.89 -54.46 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.679 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -46.95 -28.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.627 HD13 ' CE2' ' A' ' 19' ' ' TYR . 2.5 mt -60.91 -77.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.725 HH21 ' CG ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -49.94 -38.15 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.049 HD11 HD12 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -46.36 -48.48 18.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 76' ' ' ALA . 86.8 t -61.59 -40.88 88.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.65 -19.41 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -69.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.92 -22.59 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.454 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.0 mm-40 -54.64 -29.28 51.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -100.89 -17.43 16.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.56 10.34 10.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.1 mt -77.4 153.96 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -44.09 167.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.522 ' O ' HD21 ' A' ' 79' ' ' LEU . 4.1 t -110.28 -5.9 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.643 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.2 m -95.0 155.81 16.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.668 HD12 HD21 ' A' ' 59' ' ' LEU . 5.1 mt -62.57 -21.71 65.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.6 m -57.74 -16.54 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.449 ' CB ' ' HB3' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -122.33 28.27 7.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.92 -175.33 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 3.7 p 77.95 21.7 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.7 -164.31 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.5 63.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' A' ' 78' ' ' ARG . 3.1 m -47.6 147.36 3.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.612 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 176.28 10.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.4 Cg_endo -74.99 128.44 11.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.725 ' CG ' HH21 ' A' ' 78' ' ' ARG . 18.3 Cg_endo -75.02 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.11 -30.38 12.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.6 m-85 -42.03 167.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -65.46 172.81 3.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.601 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.427 ' CB ' ' OH ' ' A' ' 22' ' ' TYR . 1.1 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.527 ' HB2' HG22 ' A' ' 10' ' ' THR . 9.2 m -39.09 156.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.843 HD11 ' HB3' ' A' ' 70' ' ' LYS . 4.1 mt -43.88 -41.42 5.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.527 HG22 ' HB2' ' A' ' 8' ' ' SER . 0.5 OUTLIER -56.43 -40.6 75.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' SER . 2.5 mt-30 -77.0 -37.82 54.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.14 -45.15 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.45 58.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 55.57 21.28 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.488 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 70.06 51.34 23.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.757 ' CG ' HG12 ' A' ' 18' ' ' VAL . 37.7 t-20 -75.82 126.63 86.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.25 9.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.757 HG12 ' CG ' ' A' ' 16' ' ' ASN . 9.1 p -59.96 -46.05 94.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.0 m-30 -66.63 -33.63 76.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.55 -35.43 68.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.568 ' HG2' ' CD2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -58.17 -44.0 87.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 97.9 m-85 -74.88 -50.45 16.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -50.39 -23.56 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.26 -25.37 19.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' TYR . 1.2 mt-30 -61.68 -39.9 93.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -76.52 -41.12 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.19 140.91 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.71 143.9 49.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.53 -171.08 47.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -122.22 49.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -107.55 -28.92 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.97 27.81 17.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -129.12 143.34 50.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 0.8 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.964 ' O ' HG13 ' A' ' 67' ' ' VAL . 59.9 t -86.38 115.85 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.609 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 2.1 mt -64.9 -10.55 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.82 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 77.96 -55.22 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -41.6 -42.72 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -74.54 -40.68 61.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.71 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.21 -43.97 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.481 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -69.43 -28.25 65.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -68.47 -46.61 69.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.553 ' HB2' HG12 ' A' ' 26' ' ' VAL . 77.8 t80 -64.77 -34.9 79.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 40' ' ' ALA . 72.1 mt -59.09 -48.17 82.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' A' ' 46' ' ' SER . 3.2 mmmt -51.02 -21.27 1.71 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -80.45 15.17 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' LEU . 49.0 p -93.53 -67.14 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 149.84 -34.61 1.03 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.797 HD12 HG13 ' A' ' 80' ' ' VAL . 5.0 mt -58.75 162.54 6.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.447 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -85.66 -36.48 20.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.517 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.26 -51.14 71.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.532 HG21 HD22 ' A' ' 48' ' ' LEU . 2.7 mm -63.0 -35.81 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ILE . 2.9 mt -64.98 -52.46 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.1 -48.31 2.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -58.25 -47.33 83.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.762 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.499 HG23 HD13 ' A' ' 79' ' ' LEU . 60.3 mt -53.74 -54.88 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.82 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 23.4 t-105 -55.31 -57.88 10.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -46.57 -38.77 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.703 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.5 tm? -76.66 -32.12 57.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -67.24 -55.76 12.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -37.62 130.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -172.81 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.366 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.61 -66.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.28 128.33 1.83 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.4 151.25 47.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.501 ' C ' HG23 ' A' ' 67' ' ' VAL . . . 88.9 -7.46 82.05 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.964 HG13 ' O ' ' A' ' 34' ' ' VAL . 65.6 t -156.52 143.85 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.71 HD12 ' CB ' ' A' ' 39' ' ' ALA . 26.0 mt -99.62 177.5 5.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.3 m -134.08 -167.95 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.843 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -62.77 -95.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.583 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.38 -47.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 60' ' ' ALA . 1.1 mt-10 -40.43 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 1.7 t80 -58.43 -42.77 88.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.632 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.2 m-85 -63.98 -11.28 27.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.1 t -95.18 -58.41 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.882 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -49.8 -24.59 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD23 ' CE2' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -61.9 -71.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.492 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.1 mmp_? -59.49 -34.94 73.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.703 ' CD1' HD12 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -52.63 -38.51 60.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 76' ' ' ALA . 54.8 t -61.3 -38.4 79.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -10.86 48.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.6 t -74.71 -66.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.29 -19.2 44.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.458 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.4 mm-40 -62.4 -27.79 69.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 37.8 t30 -99.87 -12.42 19.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.79 8.46 42.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.598 HD13 HG12 ' A' ' 98' ' ' VAL . 9.1 mt -77.92 172.67 13.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.747 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.508 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -49.36 170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.503 ' O ' HD21 ' A' ' 79' ' ' LEU . 3.4 t -112.02 -15.38 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.669 ' O ' HD23 ' A' ' 94' ' ' LEU . 5.8 m -94.7 150.85 19.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.731 ' HA ' HD23 ' A' ' 94' ' ' LEU . 5.4 mt -57.59 -23.15 49.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m -52.12 -20.71 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.508 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -124.4 35.66 4.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.4 mm? -111.3 -178.94 3.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 p 74.56 34.21 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.16 -162.46 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.77 74.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.598 HG12 HD13 ' A' ' 87' ' ' LEU . 19.9 m -84.39 156.82 62.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.4 Cg_endo -75.0 174.26 13.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.98 144.73 30.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.53 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.98 -163.34 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.64 -31.05 11.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.3 m-85 -39.41 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -74.6 172.11 12.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.591 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 11' ' ' GLN . 5.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 p -45.41 166.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 70' ' ' LYS . 5.4 mt -46.42 -40.05 11.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' SER . 71.1 p -47.36 -55.66 8.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.8 -32.29 59.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -48.88 -42.9 38.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.4 57.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.4 OUTLIER 57.27 16.88 3.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.67 36.2 53.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.678 ' CG ' HG12 ' A' ' 18' ' ' VAL . 7.7 t-20 -58.12 110.43 2.55 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.98 -19.04 18.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.678 HG12 ' CG ' ' A' ' 16' ' ' ASN . 5.6 p -44.07 -41.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.677 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -67.21 -39.07 86.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -50.47 -37.74 40.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.517 ' HG3' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -51.55 -40.08 59.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 19' ' ' TYR . 12.4 m-85 -74.56 -43.53 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CE2' HG21 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -54.59 -34.27 61.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.63 -26.33 41.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -37.9 89.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.695 ' CG2' HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -78.14 -30.47 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -47.23 129.61 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.46 167.43 18.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 173.91 23.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -95.93 32.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.763 HG23 ' H ' ' A' ' 33' ' ' ARG . 1.8 t -95.18 -32.89 12.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.24 7.15 80.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.763 ' H ' HG23 ' A' ' 31' ' ' THR . 5.9 mtt-85 -113.7 171.87 7.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.938 ' O ' HG13 ' A' ' 67' ' ' VAL . 5.7 t -89.43 110.14 21.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.697 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.6 mt -62.15 -11.64 15.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 83.8 -55.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -44.87 -42.11 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -72.31 -36.16 68.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.675 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -52.44 -53.52 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -62.36 -25.61 68.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -71.29 -45.93 61.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.632 ' HB2' HG12 ' A' ' 26' ' ' VAL . 20.2 t80 -71.08 -28.21 64.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' SER . 71.0 mt -70.17 -46.0 65.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.55 -21.24 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -73.82 -2.67 24.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.735 ' HB2' HG11 ' A' ' 80' ' ' VAL . 97.1 p -68.76 -75.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.05 -24.13 0.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.717 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 9.1 mt -62.6 164.63 11.49 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.753 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -166.48 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.06 -35.81 10.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.502 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.05 -52.86 63.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.603 HG21 ' HB1' ' A' ' 83' ' ' ALA . 1.6 mt -66.12 -33.29 62.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 56' ' ' ILE . 5.3 mt -65.24 -46.64 79.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.93 -41.66 28.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.454 1.096 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HB2' HG11 ' A' ' 89' ' ' VAL . 11.0 mttm -61.6 -42.59 99.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.552 HG23 HD13 ' A' ' 79' ' ' LEU . 53.4 mt -57.03 -58.49 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.66 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 31.5 t-105 -55.18 -50.69 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -42.4 -49.34 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.976 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -78.76 -26.98 44.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -61.67 -58.18 9.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ALA . 10.1 t0 -38.42 127.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -161.63 -42.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -53.99 18.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.58 64.68 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt 173.05 -41.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 139.31 -54.6 0.67 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.938 HG13 ' O ' ' A' ' 34' ' ' VAL . 39.7 t -43.73 146.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.675 HD12 ' CB ' ' A' ' 39' ' ' ALA . 27.2 mt -99.94 168.71 9.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -121.29 -160.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.961 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HB3' HD11 ' A' ' 9' ' ' LEU . 12.4 mttp -73.74 -81.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -48.06 -52.86 18.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -40.05 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.668 ' CE1' HD12 ' A' ' 77' ' ' LEU . 2.2 t80 -54.11 -35.82 62.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.677 ' CZ ' ' HB3' ' A' ' 19' ' ' TYR . 1.3 m-85 -73.48 -11.66 60.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.652 HG11 HD11 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -90.72 -59.04 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.487 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -51.05 -41.35 59.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.668 HD12 ' CE1' ' A' ' 73' ' ' PHE . 3.0 mt -52.86 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.474 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.6 OUTLIER -51.63 -35.5 42.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.552 HD13 HG23 ' A' ' 56' ' ' ILE . 1.2 tt -51.26 -44.4 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.735 HG11 ' HB2' ' A' ' 46' ' ' SER . 53.1 t -50.41 -49.63 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.645 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -54.94 -21.18 10.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.7 t -71.73 -73.37 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 108.261 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.717 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -52.41 -22.23 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -61.12 -23.93 65.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -112.69 19.39 17.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.34 15.11 77.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.863 HD13 HG12 ' A' ' 98' ' ' VAL . 25.5 mt -77.97 168.54 19.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.506 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -50.26 168.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 55' ' ' LYS . 3.4 t -112.9 -13.69 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.687 ' O ' HD23 ' A' ' 94' ' ' LEU . 49.1 m -94.73 149.83 20.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.657 ' HA ' HD23 ' A' ' 94' ' ' LEU . 6.2 mt -59.37 -24.6 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.8 t -51.98 -23.1 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.622 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -118.72 32.17 6.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.048 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -109.27 -179.1 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.4 p 73.37 31.33 1.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.622 HD11 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -112.33 -164.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.76 57.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.863 HG12 HD13 ' A' ' 87' ' ' LEU . 20.2 m -68.07 157.48 86.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.645 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.96 174.05 13.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.01 145.52 31.5 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.502 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.02 -163.01 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.72 -30.96 11.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 24.2 m-85 -39.42 161.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.8 140.56 58.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.448 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 77.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -57.56 160.3 4.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 70' ' ' LYS . 7.0 mt -41.37 -38.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' GLY . 4.8 m -47.77 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.09 -31.49 67.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' HA ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -59.93 -15.0 18.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.576 ' OG ' ' CE1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -148.52 24.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 51.98 20.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.997 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 96.08 51.94 1.69 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.496 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 6.0 t-20 -129.2 102.36 18.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.99 -13.02 21.56 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -42.76 -29.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.627 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.6 m-85 -66.72 -45.93 77.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -49.94 -32.4 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -59.03 -45.79 89.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.42 -46.99 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.572 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 2.2 t80 -54.05 -23.61 14.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.14 -22.36 19.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.27 -36.44 82.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.708 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -75.8 -33.7 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -38.45 148.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -123.73 129.01 50.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.48 -171.29 54.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -105.61 38.55 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.822 HG23 ' H ' ' A' ' 33' ' ' ARG . 5.3 t -91.11 -22.25 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.31 -0.95 83.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.822 ' H ' HG23 ' A' ' 31' ' ' THR . 6.4 mtt180 -108.37 142.94 37.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 0.744 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.918 ' O ' HG13 ' A' ' 67' ' ' VAL . 95.3 t -82.79 115.57 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.708 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -61.26 -12.53 13.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 84.96 -56.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mp -41.74 -44.2 3.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -69.04 -42.86 75.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.541 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -49.69 -43.91 47.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.15 -27.57 68.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.72 -49.35 47.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.467 ' HB2' HG12 ' A' ' 26' ' ' VAL . 70.8 t80 -63.84 -39.54 94.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' SER . 64.5 mt -55.95 -47.95 76.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.459 ' C ' ' H ' ' A' ' 46' ' ' SER . 8.6 mmtt -46.76 -24.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 43' ' ' LEU . 14.4 mttm -81.17 25.45 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 44' ' ' LYS . 56.5 p -96.25 -71.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 148.96 -23.55 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.028 HD12 HG13 ' A' ' 80' ' ' VAL . 13.6 mt -72.74 160.8 81.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.78 12.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.784 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -75.36 -33.49 61.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.61 -62.78 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.473 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.7 mm -55.6 -36.86 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' ILE . 11.0 mt -61.37 -52.97 62.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.02 -44.47 2.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' HB2' HG11 ' A' ' 89' ' ' VAL . 8.1 mttt -60.61 -47.13 87.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.862 HG12 HD22 ' A' ' 79' ' ' LEU . 14.9 mt -52.92 -56.16 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' ALA . 21.6 t-105 -55.49 -56.49 19.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 107.966 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.51 -46.14 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.94 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.7 tm? -72.77 -31.57 64.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -68.87 -67.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' ALA . 19.9 t70 -38.23 126.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.4 m -160.15 -44.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -48.87 -49.37 39.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.77 -56.03 0.71 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.1 142.25 33.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.459 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -40.16 -46.53 3.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.918 HG13 ' O ' ' A' ' 34' ' ' VAL . 36.2 t -40.15 146.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.541 HD12 ' CB ' ' A' ' 39' ' ' ALA . 29.7 mt -100.38 -179.2 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.86 162.05 35.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.644 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -41.39 -86.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.505 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -42.36 -53.33 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -40.02 -72.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.5 t80 -51.54 -43.29 62.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.627 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.7 m-85 -57.53 -33.33 67.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 t -71.65 -53.08 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.06 20.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.29 -72.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.65 HH21 ' CG ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -53.8 -41.91 67.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.862 HD22 HG12 ' A' ' 56' ' ' ILE . 1.1 tt -42.54 -43.47 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.028 HG13 HD12 ' A' ' 48' ' ' LEU . 41.7 t -59.85 -50.74 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.63 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.45 -21.56 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -67.28 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 108.277 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.96 50.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.55 ' HG2' HD11 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -69.1 -7.34 35.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 5.6 t30 -112.93 -31.04 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.47 2.2 7.58 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.19 145.52 37.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.92 161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.473 ' O ' HD21 ' A' ' 79' ' ' LEU . 12.0 t -94.78 -2.7 10.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.514 ' O ' HD23 ' A' ' 94' ' ' LEU . 3.2 m -94.53 160.26 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.94 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.5 mt -55.4 -21.97 17.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.63 -22.09 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.453 ' C ' HD22 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -116.02 29.52 7.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.61 ' CB ' HD23 ' A' ' 91' ' ' LEU . 4.6 mm? -117.15 177.51 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.0 OUTLIER 78.58 10.97 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.937 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.98 -166.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.73 57.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.475 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 8.6 m -40.4 151.1 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.63 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.97 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 99' ' ' PRO . 18.3 Cg_endo -74.96 129.13 12.08 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.416 1.746 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.65 ' CG ' HH21 ' A' ' 78' ' ' ARG . 18.5 Cg_endo -74.98 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.04 -30.1 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 34.5 m-85 -38.61 161.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 105' ' ' ASP . 79.3 t60 -69.96 170.9 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.492 HD12 ' HG3' ' A' ' 11' ' ' GLN . 6.2 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -108.78 -167.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.657 ' CD2' ' CD1' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -37.69 -32.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 53.1 m -46.71 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.376 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.492 ' HG3' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -57.02 -30.09 63.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.945 HD21 HG23 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -58.43 -15.74 12.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.504 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -148.06 25.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.81 18.14 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 92.86 49.37 2.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.614 ' CG ' HG12 ' A' ' 18' ' ' VAL . 7.6 t-20 -110.67 100.66 46.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.1 Cg_endo -75.04 -16.98 19.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.614 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.2 p -42.67 -37.98 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.827 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -65.43 -44.16 88.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -45.5 -34.9 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -44.29 95.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 22.6 m-85 -75.27 -41.85 56.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 13.3 t80 -54.01 -34.1 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -80.26 -27.72 38.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.06 77.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.522 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -84.19 -41.29 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -38.83 115.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.9 113.35 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.59 -166.15 1.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -92.64 34.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -62.27 -43.22 99.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.63 0.8 30.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.81 141.66 46.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.734 ' O ' HG13 ' A' ' 67' ' ' VAL . 11.2 t -83.65 105.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -57.69 -15.65 8.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.759 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 85.98 -51.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' ALA . 4.1 mm? -38.5 -47.07 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -71.7 -44.7 63.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . -46.28 -48.47 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -62.08 -32.42 72.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -65.84 -54.13 30.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.522 ' HB2' HG12 ' A' ' 26' ' ' VAL . 4.8 t80 -59.1 -46.07 89.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 40' ' ' ALA . 33.8 mt -48.23 -48.64 34.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -48.3 -22.9 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -81.12 26.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.686 ' HB2' HG11 ' A' ' 80' ' ' VAL . 60.0 p -97.07 -73.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 158.97 -34.81 0.49 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.952 HD12 HG13 ' A' ' 80' ' ' VAL . 7.8 mt -57.96 163.49 4.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.449 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.96 -168.87 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.39 -37.62 11.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.553 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.9 -53.09 61.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.553 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.8 mm -63.68 -34.59 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 49' ' ' PRO . 4.5 mt -64.87 -50.04 68.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.5 -42.94 4.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.65 ' HB2' HG11 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -65.78 -41.06 92.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.771 HG13 HG13 ' A' ' 89' ' ' VAL . 2.8 mt -57.37 -56.25 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.759 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 43.6 t-105 -55.74 -54.72 40.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -43.81 -47.56 8.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.527 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.3 tm? -64.97 -35.82 82.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -66.77 -61.29 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' ALA . 43.0 t0 -36.61 126.05 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -161.16 -43.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.419 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -48.72 -56.95 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.75 65.28 0.67 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 pttt 179.77 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 132.42 -56.87 0.73 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 34' ' ' VAL . 18.3 t -39.36 152.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.452 ' HB2' ' CG1' ' A' ' 34' ' ' VAL . 23.7 mt -99.31 164.91 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -108.11 -148.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.495 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.0 mttt -88.04 -97.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' CD ' ' O ' ' A' ' 7' ' ' LEU . 51.0 mt-30 -45.27 -29.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.05 -71.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 2.6 t80 -48.93 -45.66 41.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CD1' ' CD2' ' A' ' 9' ' ' LEU . 2.0 m-85 -63.6 -24.19 67.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.945 HG23 HD21 ' A' ' 12' ' ' LEU . 1.2 t -74.87 -57.49 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.578 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -49.41 -46.79 47.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.827 HD13 ' CZ ' ' A' ' 19' ' ' TYR . 2.8 mt -49.37 -70.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.489 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -51.98 -34.96 44.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.621 HD22 HG12 ' A' ' 56' ' ' ILE . 2.2 tt -52.83 -41.23 64.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.952 HG13 HD12 ' A' ' 48' ' ' LEU . 77.5 t -53.43 -48.8 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.701 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -54.89 -20.13 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.4 t -73.56 -74.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -52.81 -21.83 4.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -59.45 -27.26 65.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 3.0 t-20 -108.28 16.59 23.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.55 17.0 79.64 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.458 1.099 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.57 ' CD1' HG12 ' A' ' 98' ' ' VAL . 96.6 mt -78.47 174.15 11.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 0.796 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.544 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -57.45 166.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.771 HG13 HG13 ' A' ' 56' ' ' ILE . 21.7 t -108.48 -15.18 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.679 ' O ' HD23 ' A' ' 94' ' ' LEU . 66.2 m -94.83 150.05 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.673 ' HA ' HD23 ' A' ' 94' ' ' LEU . 6.0 mt -60.0 -24.92 64.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 m -51.55 -21.49 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.544 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -120.24 33.41 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 90' ' ' SER . 4.5 mm? -113.67 -179.97 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.3 p 78.18 25.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.431 HD11 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -109.04 -162.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.79 65.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.57 HG12 ' CD1' ' A' ' 87' ' ' LEU . 10.0 m -74.51 156.89 86.77 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.701 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 174.17 13.24 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.02 145.74 31.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.576 1.829 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.5 Cg_endo -74.99 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.782 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -101.7 -30.96 11.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 27.2 m-85 -38.92 161.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -66.09 167.21 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.49 HD13 ' HG3' ' A' ' 11' ' ' GLN . 2.5 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 m -63.14 176.16 0.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.961 HD22 ' CG ' ' A' ' 74' ' ' PHE . 21.4 mt -54.45 -35.81 63.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLY . 6.0 m -47.12 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.49 ' HG3' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.45 -32.14 66.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -59.98 -14.88 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.51 30.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 45.5 25.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.016 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 91.53 57.18 1.57 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.52 ' CG ' HG12 ' A' ' 18' ' ' VAL . 8.2 t-20 -130.91 95.18 26.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -74.98 -8.38 20.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.52 HG12 ' CG ' ' A' ' 16' ' ' ASN . 7.7 p -41.42 -35.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.663 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -65.99 -45.86 80.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 111.024 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -43.54 -38.3 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.66 -42.69 68.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 14.0 m-85 -73.35 -41.79 63.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.652 ' CE2' ' CG2' ' A' ' 34' ' ' VAL . 1.1 t80 -53.96 -38.99 65.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.21 -33.28 71.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -61.74 -40.54 95.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 HG13 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -83.64 -19.72 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.7 tt0 -62.4 141.03 58.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.983 ' CB ' HD12 ' A' ' 35' ' ' LEU . . . -119.97 164.92 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.9 -169.13 46.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.67 27.26 7.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 33' ' ' ARG . 4.3 t -98.83 -25.9 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.82 12.41 40.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HB2' ' CG2' ' A' ' 31' ' ' THR . 8.1 mtp180 -99.68 147.47 25.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 0.762 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.932 ' O ' HG13 ' A' ' 67' ' ' VAL . 3.1 t -88.15 116.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.983 HD12 ' CB ' ' A' ' 28' ' ' ALA . 1.7 mt -61.12 -11.95 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 75.79 -56.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.82 -51.24 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.586 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -60.73 -35.33 76.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -57.17 -50.4 72.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.537 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -57.94 -23.57 54.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -76.05 -53.84 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 6.1 t80 -59.93 -36.73 77.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 40' ' ' ALA . 57.6 mt -55.47 -47.07 76.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -51.19 -20.83 1.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.2 mttm -80.22 13.7 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' LEU . 57.8 p -89.27 -71.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 152.36 -26.17 0.87 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.998 HD12 HG13 ' A' ' 80' ' ' VAL . 10.4 mt -68.17 162.51 59.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.414 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.01 -171.67 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.52 -37.84 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.542 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -58.97 -51.8 68.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.542 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 2.3 mm -63.75 -35.46 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.3 mt -63.19 -54.14 42.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.12 -42.37 2.33 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.454 1.097 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.715 ' HB2' HG11 ' A' ' 89' ' ' VAL . 1.9 mmtt -60.12 -46.3 90.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.484 HG13 ' CG1' ' A' ' 89' ' ' VAL . 24.0 mt -53.54 -57.29 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.574 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 11.8 t-105 -55.11 -55.47 30.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.08 -30.51 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.818 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.4 tm? -87.94 -28.89 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -76.08 -62.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' ALA . 2.0 t70 -38.32 126.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -163.1 -42.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -49.47 -53.28 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.37 65.13 0.55 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 178.36 173.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 35' ' ' LEU . . . -91.53 29.36 7.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 34' ' ' VAL . 57.4 t -133.33 144.06 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.418 HD21 ' CZ2' ' A' ' 57' ' ' TRP . 21.9 mt -99.46 171.78 7.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -115.86 -152.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.704 ' C ' HD21 ' A' ' 9' ' ' LEU . 12.3 mttt -87.23 -80.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 7' ' ' LEU . 28.6 mt-30 -51.26 -27.7 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -75.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 8.2 t80 -50.56 -26.1 4.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.961 ' CG ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -76.45 -28.58 56.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.68 -54.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.34 -52.73 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.566 ' CD2' ' CZ ' ' A' ' 103' ' ' PHE . 3.3 mt -46.68 -67.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.466 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.8 OUTLIER -52.68 -29.53 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.818 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.1 tt -58.1 -42.41 85.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.998 HG13 HD12 ' A' ' 48' ' ' LEU . 71.6 t -53.75 -41.07 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.9 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -58.13 -23.56 55.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.49 -63.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.574 ' HB3' HD11 ' A' ' 48' ' ' LEU . . . -51.93 -21.92 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -69.04 -17.14 63.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.6 t30 -100.85 -15.09 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.56 6.16 53.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.72 166.86 22.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.62 165.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 55' ' ' LYS . 33.4 t -99.89 -5.54 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.472 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.6 m -94.59 152.39 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.633 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.9 mt -59.88 -22.33 62.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.72 -17.44 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.627 ' O ' HD11 ' A' ' 96' ' ' LEU . 82.8 p -106.76 -15.03 14.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.581 ' HB2' HD23 ' A' ' 91' ' ' LEU . 2.2 mm? -73.63 -178.91 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.9 t 86.42 20.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.627 HD11 ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -118.15 -164.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.39 58.24 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.5 m -53.82 143.13 41.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.9 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.0 174.51 12.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -74.95 145.31 31.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.574 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.03 -164.69 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.67 -30.22 12.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 30.3 m-85 -38.73 161.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.42 ' CD2' ' H ' ' A' ' 105' ' ' ASP . 6.2 t-160 -66.21 173.81 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.42 ' H ' ' CD2' ' A' ' 104' ' ' HIS . 1.3 t0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.653 HD23 ' N ' ' A' ' 7' ' ' LEU . 2.0 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -32.05 146.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.806 HD22 ' CG ' ' A' ' 74' ' ' PHE . 4.9 mt -35.44 -40.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.1 m -47.48 -61.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.5 -31.4 63.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.72 -44.21 48.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.51 57.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 58.1 16.39 3.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 71.43 41.07 59.12 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.521 ' CG ' HG12 ' A' ' 18' ' ' VAL . 4.2 t-20 -62.87 124.58 84.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.532 0.784 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.4 Cg_endo -74.97 -23.01 14.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.521 HG12 ' CG ' ' A' ' 16' ' ' ASN . 2.6 p -40.35 -49.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.639 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 29.0 m-85 -66.27 -36.67 83.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -52.73 -39.36 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -62.81 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -58.11 -47.58 82.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.661 ' CZ ' HG23 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -54.14 -26.63 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -31.87 59.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -33.36 74.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.721 HG23 HG13 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -88.14 -13.29 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -77.93 121.76 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.401 ' HB2' HD12 ' A' ' 35' ' ' LEU . . . -58.21 99.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.31 -165.34 31.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -92.56 34.04 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.7 p -64.67 -48.78 73.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.401 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.76 -10.31 14.1 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -119.09 132.93 56.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.839 ' O ' HG13 ' A' ' 67' ' ' VAL . 51.7 t -82.21 114.21 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.707 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -56.95 -16.13 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.742 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 84.54 -52.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.55 -53.7 5.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.713 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -59.64 -34.69 73.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -49.51 -57.0 7.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.688 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -56.89 -25.83 57.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -68.43 -56.42 8.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.507 ' O ' ' CG ' ' A' ' 45' ' ' LYS . 2.1 t80 -63.15 -40.68 98.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 40' ' ' ALA . 41.8 mt -48.11 -46.14 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -25.04 2.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 4.0 mmmt -62.52 -14.09 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.427 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 97.3 p -69.74 -76.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.67 -17.73 1.45 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.994 HD12 HG13 ' A' ' 80' ' ' VAL . 12.1 mt -68.9 162.98 60.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 168.97 23.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -78.9 -33.55 45.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.683 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.55 -65.45 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 5.5 mm -52.86 -37.24 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 6.3 mt -62.36 -50.78 70.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -39.51 -44.32 2.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -47.11 87.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.667 ' CG1' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -56.47 -53.89 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.658 ' HZ3' ' HB2' ' A' ' 40' ' ' ALA . 1.7 t90 -55.3 -55.6 29.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -39.51 29.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.997 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -76.42 -27.41 56.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -79.22 -69.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' TRP . 2.7 t70 -39.83 146.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -164.86 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.367 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -57.55 -50.97 71.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.59 -174.84 15.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tttt 71.56 -61.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 157.35 -54.53 0.39 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.839 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.2 t -39.21 149.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' HG ' ' CB ' ' A' ' 36' ' ' ALA . 87.6 mt -100.18 174.31 6.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -168.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' C ' HD21 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -71.77 -82.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.561 ' NE2' ' HA ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -53.84 -34.2 58.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 3.3 mt-10 -46.87 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 2.0 t80 -52.69 -46.1 67.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.806 ' CG ' HD22 ' A' ' 9' ' ' LEU . 1.5 m-85 -57.92 -27.9 63.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.0 t -77.6 -59.76 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.77 -27.41 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.541 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 1.2 mt -65.88 -75.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -51.11 -28.64 11.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.76 HD11 HD12 ' A' ' 59' ' ' LEU . 1.1 tt -55.37 -46.72 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.994 HG13 HD12 ' A' ' 48' ' ' LEU . 8.6 t -52.49 -40.91 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -58.98 -16.96 20.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.9 t -80.16 -65.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.06 -23.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -62.68 -26.31 68.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 17.6 t-20 -100.84 10.64 40.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.14 14.15 80.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.9 mt -77.75 159.67 28.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' OG ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -42.04 164.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 56' ' ' ILE . 16.8 t -105.52 2.1 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -94.12 164.29 13.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.856 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.8 mt -59.69 -22.46 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 t -68.07 -6.08 20.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.475 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -97.55 -11.3 23.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 94' ' ' LEU . 10.3 mt -92.12 178.44 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.3 p 79.3 10.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -112.84 -168.17 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -99.6 61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.1 m -67.22 154.67 92.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.73 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.04 174.54 12.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -75.02 147.69 34.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.491 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.01 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -99.46 -30.82 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.541 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.6 m-85 -39.03 161.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.81 166.14 11.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' HB2' ' NE2' ' A' ' 71' ' ' GLN . 62.4 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.49 178.75 9.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 70' ' ' LYS . 6.5 mt -75.79 -34.33 60.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.8 m -56.36 -64.0 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -30.22 65.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.708 HD11 ' O ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -51.89 -21.41 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -149.27 44.37 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.49 28.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 88.71 58.16 1.75 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.51 1.132 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 13' ' ' SER . 8.3 t-20 -134.23 104.6 11.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -1.05 10.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.558 1.82 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.2 p -48.87 -27.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.638 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.1 m-85 -66.97 -38.83 86.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -40.14 69.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -53.57 -44.76 69.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -74.78 -43.61 53.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.8 ' CE1' HG21 ' A' ' 34' ' ' VAL . 28.6 t80 -54.33 -26.51 30.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -90.37 -22.81 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.78 98.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.643 HG23 HG13 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -75.6 -45.18 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.622 ' HB2' HG22 ' A' ' 34' ' ' VAL . 18.8 tt0 -43.21 114.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' O ' ' OG1' ' A' ' 31' ' ' THR . . . -54.45 154.51 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 31' ' ' THR . . . -72.13 143.74 35.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.434 ' C ' HG23 ' A' ' 31' ' ' THR . 19.6 t-20 53.22 72.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 28' ' ' ALA . 17.9 p -154.27 -41.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.353 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.64 -10.34 38.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.47 158.12 45.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.859 ' O ' HG13 ' A' ' 67' ' ' VAL . 46.3 t -83.3 106.67 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -54.21 -17.77 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.83 -48.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.11 -43.7 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -73.43 -37.52 65.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.623 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -55.21 -45.95 75.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -64.25 -29.59 70.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -70.33 -54.95 10.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.586 ' HB2' HG12 ' A' ' 26' ' ' VAL . 34.3 t80 -56.71 -33.85 66.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 mt -68.68 -47.29 66.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -51.98 -21.36 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -69.12 -8.12 42.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 89.9 p -65.79 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.17 -24.93 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.44 1.087 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.854 HD11 ' HG2' ' A' ' 84' ' ' GLN . 3.3 mt -65.76 160.59 60.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.44 22.62 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -74.03 -23.12 59.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -60.34 -66.0 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.536 HG21 ' HB1' ' A' ' 83' ' ' ALA . 1.9 mt -55.8 -35.57 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.67 -44.41 90.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.95 -44.5 8.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HB2' HG11 ' A' ' 89' ' ' VAL . 4.7 mmtt -63.49 -42.75 98.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.671 HG12 HD22 ' A' ' 79' ' ' LEU . 11.8 mt -56.58 -56.04 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 18.9 t-105 -55.61 -56.16 23.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 107.994 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -45.15 -44.44 10.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.583 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.1 tm? -74.18 -31.19 62.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -70.36 -67.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' ALA . 15.7 t70 -37.92 128.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m -164.59 -42.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 110.376 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -50.6 -45.61 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.34 -60.55 0.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -79.9 153.79 28.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -51.1 -40.7 44.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.859 HG13 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -44.2 145.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.623 HD12 ' CB ' ' A' ' 39' ' ' ALA . 29.3 mt -99.74 171.08 8.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.456 ' O ' ' CE1' ' A' ' 23' ' ' TYR . 1.7 m -121.08 -148.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.767 ' HB3' HD11 ' A' ' 9' ' ' LEU . 17.1 mttt -83.68 -93.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -38.13 -50.55 1.39 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.26 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 3.7 t80 -56.84 -47.44 80.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.708 ' O ' HD11 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -56.93 -19.8 19.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.604 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -85.28 -64.45 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -43.82 -30.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -60.05 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -52.2 -28.32 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.671 HD22 HG12 ' A' ' 56' ' ' ILE . 2.0 tt -57.38 -41.42 80.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 76' ' ' ALA . 48.5 t -57.09 -38.54 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -65.51 -11.65 45.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.96 -69.67 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 108.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.536 ' HB1' HG21 ' A' ' 52' ' ' ILE . . . -52.76 -22.37 5.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.854 ' HG2' HD11 ' A' ' 48' ' ' LEU . 2.5 mm-40 -58.17 -28.64 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.459 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 7.9 t-20 -100.13 -13.84 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.94 14.19 29.69 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 87.9 mt -78.15 -179.97 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.489 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -59.78 169.59 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 55' ' ' LYS . 20.7 t -111.78 -10.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.744 ' O ' HD23 ' A' ' 94' ' ' LEU . 16.6 m -94.52 151.5 19.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.625 ' HA ' HD23 ' A' ' 94' ' ' LEU . 7.1 mt -60.73 -26.78 67.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.6 m -53.0 -20.79 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.489 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -120.46 32.98 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -111.11 -175.75 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.9 p 71.19 37.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -118.21 -162.1 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.47 63.16 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.7 m -73.1 154.48 90.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.58 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 174.4 12.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.96 144.93 31.0 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.551 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.06 -164.63 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.68 -30.53 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.9 m-85 -39.03 161.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -66.18 140.12 58.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.628 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 11' ' ' GLN . 8.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.501 ' OG ' ' N ' ' A' ' 9' ' ' LEU . 6.2 t 166.06 -177.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.085 HD13 ' CE1' ' A' ' 74' ' ' PHE . 4.4 mt -50.02 -38.43 37.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.6 m -46.72 -76.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' HB3' ' CD2' ' A' ' 7' ' ' LEU . 3.0 mm-40 -57.0 -33.95 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -60.93 -13.94 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.461 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -148.1 37.74 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' SER . 0.2 OUTLIER 38.75 29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' SER . . . 86.31 59.3 1.86 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.531 ' CG ' HG12 ' A' ' 18' ' ' VAL . 8.8 t-20 -130.76 104.15 15.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -75.05 -7.17 18.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.531 HG12 ' CG ' ' A' ' 16' ' ' ASN . 5.2 p -41.1 -51.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 6.2 m-30 -62.13 -37.85 86.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -50.81 -40.6 55.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.22 -62.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 9.5 m-85 -58.01 -48.14 80.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.705 ' CE2' HG21 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -54.01 -26.21 25.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -30.94 54.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.774 HG23 HG13 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -84.24 -14.7 11.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.37 144.48 51.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.962 ' CB ' HD12 ' A' ' 35' ' ' LEU . . . -114.49 148.35 37.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.99 -171.09 12.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -116.13 46.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 p -103.35 -21.47 13.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.05 14.28 60.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -111.54 144.23 41.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.799 ' O ' HG13 ' A' ' 67' ' ' VAL . 25.8 t -91.54 119.03 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.962 HD12 ' CB ' ' A' ' 28' ' ' ALA . 1.1 mt -61.75 -12.54 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.641 ' H ' HG12 ' A' ' 34' ' ' VAL . . . 78.9 -55.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mp -44.32 -52.61 7.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.626 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -59.2 -42.95 92.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 68' ' ' LEU . . . -50.8 -51.94 45.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.03 -24.52 39.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -77.45 -52.2 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.55 ' HB2' HG12 ' A' ' 26' ' ' VAL . 18.4 t80 -57.76 -41.94 83.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' SER . 81.1 mt -56.28 -48.75 75.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -49.99 -22.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 43' ' ' LEU . 16.4 mttm -81.0 19.08 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 59.7 p -93.14 -68.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.408 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 157.13 -37.27 0.56 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.105 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD22 HG21 ' A' ' 52' ' ' ILE . 4.7 mt -58.76 162.61 6.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.58 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.01 -164.82 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -96.4 -34.68 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.38 -54.01 51.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.701 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 mm -63.24 -34.74 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 49' ' ' PRO . 6.1 mt -62.96 -53.52 52.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.43 -42.7 3.51 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.698 ' HB2' HG11 ' A' ' 89' ' ' VAL . 1.5 mmtp -63.81 -43.03 97.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.901 HG12 HD22 ' A' ' 79' ' ' LEU . 1.9 mt -57.13 -55.53 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.492 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 15.6 t-105 -54.88 -55.12 33.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 107.983 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -45.73 -41.22 10.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.894 HD12 ' CD1' ' A' ' 79' ' ' LEU . 1.7 tm? -77.86 -30.28 50.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -71.91 -67.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TRP . 19.6 t70 -38.59 128.75 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 m -158.01 -43.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -61.88 -55.12 33.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.39 -106.96 0.19 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -175.76 166.22 3.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.267 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 67' ' ' VAL . . . 76.79 -15.28 6.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 34' ' ' VAL . 5.4 t -151.64 150.77 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.561 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 64.3 mt -104.87 160.14 15.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -94.75 -149.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.539 ' C ' HD21 ' A' ' 9' ' ' LEU . 2.0 mttt -93.07 -97.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -45.89 -27.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -51.0 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -50.48 -43.31 55.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 1.085 ' CE1' HD13 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -61.43 -33.5 73.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.8 t -68.54 -49.86 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -57.35 -38.38 74.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 103' ' ' PHE . 0.5 OUTLIER -51.06 -70.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.495 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -53.16 -35.96 60.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.901 HD22 HG12 ' A' ' 56' ' ' ILE . 3.0 tt -52.02 -39.6 59.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 76' ' ' ALA . 46.7 t -57.51 -41.6 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -62.27 -17.14 57.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.94 -72.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 108.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.03 -22.57 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -58.45 -22.56 55.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -100.74 -18.11 16.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.12 10.06 24.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.88 168.91 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -51.68 162.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.359 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.713 HG13 HG13 ' A' ' 56' ' ' ILE . 37.0 t -103.2 0.52 10.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.5 m -94.32 165.2 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.804 ' HG ' HD11 ' A' ' 59' ' ' LEU . 4.4 mt -55.86 -20.18 14.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.2 m -67.33 -7.41 24.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -97.03 -17.23 20.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.966 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.476 HD12 HD23 ' A' ' 91' ' ' LEU . 9.4 mt -84.8 -179.57 7.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 p 73.77 8.19 4.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -110.39 -164.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.27 59.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.6 m -61.16 150.71 78.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.751 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.99 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.543 1.812 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.97 143.21 28.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.554 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.96 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 46' ' ' SER . 3.1 tpt180 -99.68 -30.89 11.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 77' ' ' LEU . 25.7 m-85 -39.3 161.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -66.3 168.36 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.44 146.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.891 HD11 ' HB2' ' A' ' 70' ' ' LYS . 7.2 mt -44.73 -36.53 3.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 14' ' ' SER . 45.8 p -59.19 -48.5 81.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -73.79 -33.41 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -46.52 19.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.52 56.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 55.4 18.48 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 78.06 52.15 5.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.599 ' CG ' HG12 ' A' ' 18' ' ' VAL . 49.4 t-20 -85.38 121.87 73.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.63 21.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.599 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.0 p -45.56 -40.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.607 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.9 m-85 -66.05 -38.11 87.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -31.56 32.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG3' ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -61.16 -45.65 93.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' HB3' ' CE2' ' A' ' 42' ' ' PHE . 15.1 m-85 -72.63 -45.53 58.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 13.3 t80 -54.26 -26.69 30.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -25.97 25.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.95 -38.72 89.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.593 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -73.19 -39.32 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 33' ' ' ARG . 1.8 tt0 -39.37 140.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -133.01 168.54 18.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.57 -166.88 53.9 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -122.72 34.73 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.0 p -96.92 -29.37 13.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.09 24.34 27.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HD2' HG11 ' A' ' 67' ' ' VAL . 4.9 mtm-85 -129.49 168.53 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.914 ' O ' HG13 ' A' ' 67' ' ' VAL . 64.7 t -97.36 112.99 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -61.23 -12.39 12.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.756 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 84.98 -54.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -44.25 -38.45 3.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -74.47 -39.66 62.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.834 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -56.12 -42.79 77.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -69.45 -24.83 63.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -76.51 -48.14 20.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.593 ' HB2' HG12 ' A' ' 26' ' ' VAL . 58.0 t80 -62.25 -27.58 69.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.545 HD22 HG21 ' A' ' 80' ' ' VAL . 76.4 mt -73.86 -47.05 41.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -49.5 -23.01 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 43' ' ' LEU . 4.9 mmtt -62.38 -24.31 67.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.573 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 18.2 p -50.74 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 149.02 -19.12 1.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.715 HD12 HG13 ' A' ' 80' ' ' VAL . 28.9 mt -65.36 161.09 53.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.535 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -36.83 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.535 HD23 ' HG2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -58.82 -52.61 64.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.51 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.4 mm -62.88 -35.15 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.4 mt -63.37 -56.73 13.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.57 -42.97 1.5 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -48.93 79.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.006 HG23 HD13 ' A' ' 79' ' ' LEU . 8.8 mt -54.1 -54.39 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.756 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 29.1 t-105 -55.08 -53.94 49.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -44.14 -45.85 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.769 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.7 tm? -76.62 -29.11 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -67.89 -65.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 60' ' ' ALA . 5.9 t70 -37.67 126.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 m -159.72 -43.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -50.73 -52.46 40.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.69 -64.58 0.46 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -77.32 159.36 29.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.567 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -53.33 -44.73 65.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.914 HG13 ' O ' ' A' ' 34' ' ' VAL . 21.9 t -39.82 148.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.834 HD12 ' CB ' ' A' ' 39' ' ' ALA . 13.7 mt -100.67 -174.67 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -147.06 172.17 14.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.891 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -44.02 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.506 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.69 -51.9 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.65 -73.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 29.5 t80 -57.26 -34.41 68.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.773 ' CD2' HD22 ' A' ' 9' ' ' LEU . 2.3 m-85 -72.92 -5.45 38.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.3 t -101.89 -49.07 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.942 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -57.08 -23.99 50.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 19' ' ' TYR . 3.0 mt -59.1 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.911 ' HB3' HG21 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -50.86 -46.23 60.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.006 HD13 HG23 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -41.63 -44.5 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 76' ' ' ALA . 93.4 t -60.92 -47.81 91.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 101' ' ' PRO . . . -63.68 -16.35 60.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.779 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -71.14 -63.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.307 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.82 -17.46 49.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.591 ' HG2' HD11 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -70.82 -7.64 46.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.468 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.5 t-20 -117.68 -6.54 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 103.11 5.51 46.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 88' ' ' GLU . 88.2 mt -77.72 148.63 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' A' ' 93' ' ' SER . 6.5 tt0 -41.75 163.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.512 ' CG1' ' CG1' ' A' ' 56' ' ' ILE . 9.1 t -101.46 -6.37 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -94.69 169.47 10.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.769 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.3 mt -54.52 -21.03 8.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -16.49 20.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.497 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 14.0 p -104.56 -15.94 15.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.722 ' HB2' HD23 ' A' ' 91' ' ' LEU . 13.9 mt -85.08 176.83 8.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 2.4 p 81.78 2.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 93' ' ' SER . 0.1 OUTLIER -109.41 -168.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.57 59.12 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.911 HG21 ' HB3' ' A' ' 78' ' ' ARG . 10.2 m -40.3 147.71 0.36 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.566 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 174.92 11.95 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.49 12.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.596 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.02 -160.47 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -98.12 -29.54 13.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 14.1 m-85 -39.27 162.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.75 179.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.401 ' C ' ' OH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -155.72 177.33 11.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 70' ' ' LYS . 13.8 mt -69.72 -32.94 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' SER . 5.5 m -50.0 -70.02 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.361 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -30.34 67.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.91 -48.89 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -148.87 45.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 54.08 15.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 86.2 59.44 1.85 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.639 ' CG ' HG12 ' A' ' 18' ' ' VAL . 24.2 t-20 -108.88 115.87 56.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.69 8.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.639 HG12 ' CG ' ' A' ' 16' ' ' ASN . 7.3 p -51.97 -50.42 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.605 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 4.4 m-30 -61.23 -34.83 75.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -36.61 61.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -40.92 94.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 95.6 m-85 -75.18 -45.47 40.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 5.9 t80 -54.21 -28.86 43.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -21.78 22.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.0 81.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 HG13 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -77.58 -34.48 20.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 1.4 tt0 -45.46 143.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -119.92 150.23 40.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.28 -172.44 54.46 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.56 48.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.5 p -107.29 -28.57 9.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 110.418 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.79 28.25 16.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.7 140.26 49.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.932 ' O ' HG13 ' A' ' 67' ' ' VAL . 69.9 t -82.89 116.19 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.688 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -60.94 -12.38 11.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 84.45 -56.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -44.33 -44.45 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -64.98 -40.58 95.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.762 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -57.09 -43.05 81.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -21.86 66.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' O ' ' CG ' ' A' ' 44' ' ' LYS . . . -83.02 -49.51 9.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 22' ' ' TYR . 57.4 t80 -62.55 -35.44 79.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.19 -48.07 66.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -49.74 -23.28 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -62.61 -14.97 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.63 ' CB ' HG11 ' A' ' 80' ' ' VAL . 67.7 p -56.92 -67.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.45 -19.54 1.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.631 HD12 HG13 ' A' ' 80' ' ' VAL . 25.3 mt -68.72 160.79 75.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.486 1.782 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.79 -29.46 58.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.478 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -60.07 -62.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.967 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.668 HG23 HG21 ' A' ' 89' ' ' VAL . 5.6 mm -56.28 -35.91 44.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.763 HD23 HD12 ' A' ' 56' ' ' ILE . 7.2 mt -64.03 -47.75 79.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.44 -43.08 4.74 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.518 1.137 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -64.92 -41.55 95.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.763 HD12 HD23 ' A' ' 53' ' ' LEU . 25.8 mt -57.04 -53.6 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.702 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 34.1 t-105 -55.4 -56.77 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -44.3 -51.9 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.654 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.3 tm? -68.64 -28.8 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 57' ' ' TRP . . . -65.08 -61.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 60' ' ' ALA . 6.4 t70 -39.75 126.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m -171.42 -52.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -51.05 -48.36 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.71 141.34 4.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 tttm 72.51 173.93 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -72.18 -49.09 22.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 34' ' ' VAL . 42.7 t -40.44 145.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.762 HD12 ' CB ' ' A' ' 39' ' ' ALA . 84.7 mt -101.9 174.43 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.7 m -127.99 -162.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.695 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -67.36 -90.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.471 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -40.15 -49.06 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.58 -75.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 5.6 t80 -57.64 -30.48 65.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.605 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.3 m-85 -75.48 -5.8 46.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -98.39 -52.21 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -55.94 -23.84 34.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.641 HD23 ' CE2' ' A' ' 103' ' ' PHE . 3.1 mt -61.32 -73.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.511 HH21 ' CD ' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -53.58 -42.19 67.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.521 HD13 HG23 ' A' ' 56' ' ' ILE . 1.1 tt -46.83 -50.17 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.631 HG13 HD12 ' A' ' 48' ' ' LEU . 32.5 t -58.18 -40.69 78.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.698 ' HB2' ' HB3' ' A' ' 101' ' ' PRO . . . -69.0 -12.63 61.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.628 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -79.36 -61.22 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.274 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.22 -15.55 57.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -66.69 -17.89 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.443 ' CB ' ' HG3' ' A' ' 99' ' ' PRO . 10.7 t30 -112.41 -16.72 12.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.69 9.5 9.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.618 HD13 ' SG ' ' A' ' 82' ' ' CYS . 9.4 mt -77.43 150.44 35.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -44.82 163.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.668 HG21 HG23 ' A' ' 52' ' ' ILE . 21.2 t -103.95 -8.83 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.718 ' O ' HD23 ' A' ' 94' ' ' LEU . 1.6 m -94.44 151.56 19.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.654 ' HG ' HD11 ' A' ' 59' ' ' LEU . 7.7 mt -64.48 -23.51 67.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.35 -19.99 3.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.42 36.56 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 90' ' ' SER . 4.0 mm? -117.04 -170.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER 83.23 -0.07 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.94 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -161.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.51 59.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.628 HG12 ' SG ' ' A' ' 82' ' ' CYS . 4.4 m -39.95 147.12 0.36 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.585 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.98 175.07 11.72 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 126.12 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.698 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 -161.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -98.97 -30.11 12.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.641 ' CE2' HD23 ' A' ' 77' ' ' LEU . 17.6 m-85 -38.57 161.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -68.93 172.68 6.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.603 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.506 ' CB ' ' NE2' ' A' ' 71' ' ' GLN . 7.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.575 ' N ' HE21 ' A' ' 71' ' ' GLN . 1.2 m -35.33 151.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.996 HD22 ' CD2' ' A' ' 74' ' ' PHE . 1.1 mt -38.87 -43.12 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.496 ' O ' ' CA ' ' A' ' 14' ' ' SER . 12.0 m -51.09 -52.34 44.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' SER . 1.7 mt-30 -73.64 -34.24 64.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -42.92 43.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 15' ' ' GLY . 2.3 m -158.88 59.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.496 ' CA ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 39.0 29.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.31 58.5 3.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 39.5 t-20 -106.89 126.86 29.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 1.26 7.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 19' ' ' TYR . 6.4 p -46.77 -49.17 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.624 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 2.6 m-30 -66.3 -32.66 74.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -31.02 64.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -42.23 98.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -78.27 -44.34 25.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.831 ' CE1' HG21 ' A' ' 34' ' ' VAL . 29.2 t80 -53.71 -24.97 16.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -97.45 -18.83 18.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -29.6 70.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.665 HG23 HG13 ' A' ' 34' ' ' VAL . 2.4 m -85.5 -47.2 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.098 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 4.1 tm-20 -38.49 145.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.64 121.28 44.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.53 -169.57 28.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -119.35 49.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.1 p -98.57 -41.93 7.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.97 27.1 6.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.6 128.82 37.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.885 ' O ' HG13 ' A' ' 67' ' ' VAL . 21.1 t -88.82 112.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.4 mt -61.03 -12.36 11.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.6 -52.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -45.79 -43.46 13.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.742 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -70.15 -33.41 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.638 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -54.53 -53.82 49.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -61.92 -24.84 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -59.92 -59.51 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -64.19 -40.37 95.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 40' ' ' ALA . 78.7 mt -49.3 -48.09 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' A' ' 46' ' ' SER . 9.8 mtmt -46.31 -25.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 43' ' ' LEU . 7.5 mtmt -81.47 26.61 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.471 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 98.7 p -92.67 -81.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 167.01 -29.43 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.83 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 15.9 mt -71.83 160.82 81.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.63 2.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -82.8 -33.68 27.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.761 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.54 -67.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.489 HG21 ' HB1' ' A' ' 83' ' ' ALA . 7.8 mm -51.78 -37.78 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 56' ' ' ILE . 8.0 mt -61.13 -52.02 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.31 -43.32 2.73 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.582 ' HB2' HG11 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -61.53 -45.59 93.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.511 HG12 HD22 ' A' ' 79' ' ' LEU . 16.6 mt -54.72 -57.53 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.657 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 38.2 t-105 -55.28 -53.76 52.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -45.11 -41.11 7.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.563 HD11 HD12 ' A' ' 91' ' ' LEU . 1.9 tm? -80.67 -29.17 36.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -66.98 -62.2 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.9 t70 -38.44 128.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -156.79 -44.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -46.16 -46.0 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.37 61.12 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.35 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 146.71 -54.36 0.54 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 34' ' ' VAL . 22.4 t -39.63 148.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.638 HD12 ' CB ' ' A' ' 39' ' ' ALA . 20.1 mt -99.51 171.62 7.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -138.25 -176.22 4.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.704 ' CB ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -53.74 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.575 HE21 ' N ' ' A' ' 8' ' ' SER . 0.4 OUTLIER -38.11 -49.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.37 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 23' ' ' TYR . 82.8 t80 -54.59 -35.13 63.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.996 ' CD2' HD22 ' A' ' 9' ' ' LEU . 2.9 m-85 -74.5 -3.42 30.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' GLN . 1.5 t -102.97 -56.41 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.921 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -55.77 -25.3 40.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.66 -71.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.521 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.8 mmp_? -58.07 -41.32 83.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.511 HD22 HG12 ' A' ' 56' ' ' ILE . 1.3 tt -45.4 -42.8 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 76' ' ' ALA . 69.2 t -54.59 -48.69 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -58.02 -17.9 20.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 3.8 t -69.39 -65.29 0.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.83 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -58.23 -19.73 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.469 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -70.99 -7.25 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HB2' ' CD ' ' A' ' 99' ' ' PRO . 50.9 t30 -114.81 -7.54 12.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.37 7.06 59.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.602 HD12 HG12 ' A' ' 98' ' ' VAL . 62.3 mt -77.86 177.5 8.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.0 OUTLIER -56.92 173.49 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 55' ' ' LYS . 5.2 t -114.04 -10.18 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.676 ' O ' HD23 ' A' ' 94' ' ' LEU . 6.3 m -94.32 150.06 20.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 59' ' ' LEU . 7.9 mt -60.06 -25.1 65.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -55.27 -18.86 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.452 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -119.65 28.47 8.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 90' ' ' SER . 4.2 mm? -108.69 -178.49 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p 76.08 33.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD11 ' O ' ' A' ' 93' ' ' SER . 0.3 OUTLIER -117.5 -162.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -100.55 71.67 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.602 HG12 HD12 ' A' ' 87' ' ' LEU . 31.2 m -79.46 153.27 76.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.439 ' CD ' ' HB2' ' A' ' 85' ' ' ASN . 18.2 Cg_endo -75.01 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.05 142.37 27.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.572 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.97 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -100.16 -30.76 11.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 27.5 m-85 -38.58 161.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -68.41 176.28 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.69 171.6 18.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 74' ' ' PHE . 88.9 mt -78.62 -33.05 47.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 14' ' ' SER . 4.5 m -55.98 -63.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -33.73 71.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -41.86 -45.32 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.05 59.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.5 OUTLIER 55.82 18.47 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.949 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 73.75 44.19 32.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.722 ' CG ' HG12 ' A' ' 18' ' ' VAL . 12.8 t-20 -69.82 117.92 58.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.03 16.29 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.722 HG12 ' CG ' ' A' ' 16' ' ' ASN . 8.8 p -54.9 -50.83 58.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 5.3 m-30 -64.24 -35.08 79.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -42.31 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.543 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -50.06 -48.68 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 92.8 m-85 -69.22 -49.72 53.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 3.0 t80 -53.4 -22.97 8.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.24 -24.91 24.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -61.81 -38.82 89.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.73 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -73.32 -43.56 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 2.8 tm-20 -38.92 142.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.53 ' HB3' HD12 ' A' ' 35' ' ' LEU . . . -108.12 139.72 42.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.51 -168.58 52.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -114.31 44.09 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.02 -40.27 8.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.42 -17.28 23.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' HD2' HG21 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -85.52 139.53 31.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.665 HG13 HG23 ' A' ' 26' ' ' VAL . 68.8 t -89.68 111.03 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.3 mt -55.06 -11.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.743 ' HB1' ' CH2' ' A' ' 57' ' ' TRP . . . 80.63 -54.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.04 -53.03 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.679 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -59.5 -40.98 88.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -46.02 -55.41 6.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.05 -29.43 57.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -67.79 -52.55 35.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.73 ' HB2' HG12 ' A' ' 26' ' ' VAL . 34.1 t80 -62.38 -32.42 73.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 46' ' ' SER . 75.6 mt -70.92 -47.27 60.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.43 -21.21 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -79.94 11.43 3.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.491 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 56.3 p -86.15 -60.74 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.3 -38.31 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD1' ' HG2' ' A' ' 84' ' ' GLN . 5.9 mp -62.73 164.01 13.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -98.41 -27.94 13.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -59.79 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.467 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 3.7 mm -55.15 -35.81 37.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.562 HD23 HD12 ' A' ' 56' ' ' ILE . 7.4 mt -63.38 -48.19 78.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.41 -44.61 5.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -60.66 -44.55 96.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.958 HG23 HD13 ' A' ' 79' ' ' LEU . 17.8 mt -57.11 -53.16 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.743 ' CH2' ' HB1' ' A' ' 36' ' ' ALA . 5.8 t-105 -55.12 -57.33 12.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.77 -30.75 6.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 79' ' ' LEU . 1.8 tm? -83.25 -31.67 26.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -78.43 -65.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' TRP . 15.1 t70 -39.18 130.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -162.14 -43.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.383 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -40.9 -47.6 2.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.87 -61.82 0.65 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.047 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 155.11 18.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.1 -43.22 88.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 34' ' ' VAL . 2.2 t -51.49 165.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.556 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 90.3 mt -99.73 163.01 12.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.471 ' HB2' ' CG ' ' A' ' 72' ' ' GLU . 1.4 m -96.8 -145.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.451 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -98.36 -97.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.58 -31.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 69' ' ' SER . 68.9 mm-40 -46.28 -76.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -49.82 -43.03 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.1 m-85 -57.71 -26.93 62.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.626 HG12 ' N ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -78.66 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -42.86 -30.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -59.81 -73.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 1.5 mmp_? -59.48 -21.01 59.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.958 HD13 HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -62.17 -43.13 99.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 76' ' ' ALA . 94.6 t -60.78 -37.28 75.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -59.7 -19.63 51.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 87' ' ' LEU . 4.2 t -77.38 -72.92 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.252 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.82 -25.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.445 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 2.5 mm-40 -52.25 -33.72 42.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 1.6 t30 -102.52 24.8 9.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.58 16.86 70.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' CB ' ' SG ' ' A' ' 82' ' ' CYS . 72.1 mt -77.68 165.67 23.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.516 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 3.5 tp10 -50.24 162.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.622 HG12 HG12 ' A' ' 56' ' ' ILE . 2.7 t -107.51 -11.59 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.636 ' O ' HD23 ' A' ' 94' ' ' LEU . 9.5 m -94.52 142.99 26.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.631 ' HA ' HD23 ' A' ' 94' ' ' LEU . 5.0 mt -56.8 -26.12 57.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -19.97 5.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.516 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -121.45 33.45 5.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 90' ' ' SER . 4.3 mm? -112.73 -178.13 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 1.2 p 78.45 27.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.45 -162.36 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.42 59.81 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 14.6 m -63.94 140.39 97.85 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.675 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.97 174.35 12.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.6 30.48 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 17.9 Cg_endo -75.06 -162.68 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.947 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -100.08 -31.04 11.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 101' ' ' PRO . 25.1 m-85 -40.32 163.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -7.32 34.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' C ' ' NE2' ' A' ' 71' ' ' GLN . 45.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -148.99 179.22 8.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 70' ' ' LYS . 11.6 mt -77.6 -35.33 52.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 14' ' ' SER . 4.2 m -51.22 -52.39 44.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -71.02 -33.46 70.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -47.33 -40.47 17.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -164.8 61.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 40.68 28.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 72.17 55.98 6.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.533 ' CG ' HG12 ' A' ' 18' ' ' VAL . 36.3 t-20 -97.87 117.05 65.62 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.83 20.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.533 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.2 p -46.31 -36.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.1 m-85 -66.55 -40.04 88.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -40.55 34.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.28 -64.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 14.8 m-85 -57.62 -43.98 85.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 33.7 t80 -54.24 -30.32 49.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -24.52 28.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -63.05 -40.12 96.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.606 HG23 HG23 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -75.19 -42.21 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' VAL . 2.4 tt0 -38.69 132.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.79 149.2 24.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.3 -178.95 4.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -109.18 43.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.8 p -93.78 -32.08 14.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.85 24.02 10.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -135.17 143.3 46.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.903 ' O ' HG13 ' A' ' 67' ' ' VAL . 1.6 p -95.51 115.59 34.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.734 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -60.07 -12.87 9.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 89.25 -56.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -40.33 -38.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -73.46 -48.35 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.842 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -48.75 -41.64 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.638 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -66.96 -30.64 70.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -66.18 -56.31 12.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' HB2' HG12 ' A' ' 26' ' ' VAL . 80.8 t80 -56.91 -33.66 67.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 40' ' ' ALA . 41.2 mt -64.24 -47.7 78.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -20.31 6.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -76.21 -1.91 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 60.6 p -69.71 -70.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.58 -25.79 0.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.766 HD12 HG13 ' A' ' 80' ' ' VAL . 9.8 mt -67.02 162.61 52.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -169.13 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -94.67 -31.92 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.26 -60.2 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.471 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 1.6 mt -58.23 -35.32 52.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 56' ' ' ILE . 9.4 mt -63.11 -51.27 67.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.68 -46.61 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -60.47 -43.72 96.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 53' ' ' LEU . 14.8 mt -57.11 -53.82 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.638 ' CZ3' ' HB2' ' A' ' 40' ' ' ALA . 28.4 t-105 -55.16 -56.29 21.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 108.044 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.97 -44.58 15.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.635 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.5 tm? -73.83 -29.23 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -68.19 -62.82 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' ALA . 29.6 t0 -39.14 123.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.4 m -157.3 -44.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -46.61 -46.27 19.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.79 43.3 0.81 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.25 169.25 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -64.57 -60.61 6.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.903 HG13 ' O ' ' A' ' 34' ' ' VAL . 36.2 t -39.33 146.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.842 HD12 ' CB ' ' A' ' 39' ' ' ALA . 77.8 mt -102.12 169.42 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 m -123.99 -160.64 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.616 ' HB3' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -70.08 -93.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' VAL . 6.4 mt-30 -38.2 -47.7 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -43.4 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CE1' HD12 ' A' ' 77' ' ' LEU . 9.8 t80 -59.49 -39.62 84.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 1.4 m-85 -64.69 -15.42 61.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.5 t -89.97 -63.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.977 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -48.28 -26.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.547 HD12 ' CE1' ' A' ' 73' ' ' PHE . 1.1 mt -62.78 -75.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.508 ' NH2' ' CG ' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -55.01 -41.61 71.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.615 HD21 ' O ' ' A' ' 89' ' ' VAL . 2.9 tt -43.94 -40.68 4.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 76' ' ' ALA . 84.2 t -60.45 -44.31 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.644 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -62.88 -15.94 56.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.519 ' HA ' HG23 ' A' ' 98' ' ' VAL . 1.8 t -75.88 -69.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.314 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.9 -20.15 14.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.446 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -59.2 -15.26 13.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.472 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 2.4 t30 -107.8 13.67 26.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.83 7.05 86.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 85' ' ' ASN . 4.3 mt -77.8 177.99 7.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.404 ' CB ' ' HB3' ' A' ' 93' ' ' SER . 5.9 tt0 -53.03 161.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.615 ' O ' HD21 ' A' ' 79' ' ' LEU . 7.3 t -105.48 2.14 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.2 m -94.61 160.55 14.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.512 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.0 mt -60.78 -21.56 63.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.36 -47.25 72.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.579 ' HA ' HD12 ' A' ' 96' ' ' LEU . 50.1 p -74.24 -22.57 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.613 HD22 HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -63.06 -37.14 86.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.0 p -57.63 -19.87 29.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 93' ' ' SER . 7.6 mt -74.33 -167.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.42 56.78 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.613 HG11 HD22 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -42.64 132.8 2.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.644 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.09 174.76 12.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -75.0 141.66 26.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.541 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.05 -164.45 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -100.08 -30.08 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 27.5 m-85 -38.52 161.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.61 174.06 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -40.12 159.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.639 HD22 ' CG ' ' A' ' 74' ' ' PHE . 14.1 mt -39.86 -34.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 14' ' ' SER . 3.5 m -47.92 -71.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -32.95 70.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 12' ' ' LEU . 1.4 tm? -45.58 -42.43 11.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -167.59 61.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 46.67 25.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 10' ' ' THR . . . 69.0 51.96 26.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.507 ' CG ' HG12 ' A' ' 18' ' ' VAL . 9.0 t-20 -83.95 114.0 51.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.02 9.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.507 HG12 ' CG ' ' A' ' 16' ' ' ASN . 13.0 p -57.79 -39.8 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 8.1 m-85 -66.29 -32.35 73.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -32.43 57.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.566 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 1.6 ttpt -62.41 -37.94 87.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 9.1 m-30 -75.06 -54.74 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 2.6 t80 -53.39 -20.84 4.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -25.97 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -62.28 -35.25 78.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.583 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -87.44 -29.47 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.966 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.549 ' HA ' HG23 ' A' ' 34' ' ' VAL . 2.5 tt0 -55.01 144.43 23.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -114.12 160.7 18.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.49 -175.04 1.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -118.76 48.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.1 p -101.41 -37.28 8.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.65 12.81 20.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -118.16 138.7 52.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.978 ' O ' HG13 ' A' ' 67' ' ' VAL . 5.0 p -101.48 120.51 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.668 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.9 mt -63.36 -12.61 31.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 81.3 -51.92 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ALA . 2.5 mm? -38.8 -39.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -71.34 -49.01 46.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -46.22 -43.22 15.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.75 -37.39 84.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -65.43 -45.45 83.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.583 ' HB2' HG12 ' A' ' 26' ' ' VAL . 11.0 t80 -62.94 -38.37 90.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.548 HD22 HG21 ' A' ' 80' ' ' VAL . 77.3 mt -59.82 -46.47 89.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -53.93 -21.58 8.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -76.12 -1.78 27.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 90.9 p -72.57 -74.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 164.84 -29.79 0.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 83' ' ' ALA . 13.3 mt -72.85 161.87 77.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.911 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.01 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.35 -24.8 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.815 HD12 HG12 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -58.54 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.815 HG12 HD12 ' A' ' 51' ' ' LEU . 2.7 mm -47.8 -35.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.911 HD12 ' O ' ' A' ' 49' ' ' PRO . 5.4 mt -61.4 -46.84 88.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -46.32 -39.84 10.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -63.85 -41.87 97.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.286 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.77 HG12 HD22 ' A' ' 79' ' ' LEU . 55.2 mt -57.1 -56.98 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.614 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 8.9 t-105 -54.37 -54.37 41.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.008 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.5 -29.43 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.635 HD11 ' HG ' ' A' ' 91' ' ' LEU . 1.9 tm? -88.79 -29.52 19.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' TRP . . . -74.97 -62.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' ALA . 2.0 t70 -38.77 129.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -159.43 -44.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.47 -47.77 38.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.28 -56.2 0.73 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.143 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 66' ' ' GLY . 1.8 ttmt -81.13 141.57 34.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . -37.39 -42.82 0.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.978 HG13 ' O ' ' A' ' 34' ' ' VAL . 53.9 t -40.4 146.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.607 HD21 ' CZ2' ' A' ' 57' ' ' TRP . 20.2 mt -100.25 169.24 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.5 m -126.24 179.22 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -54.14 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.586 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.15 -52.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -39.53 -71.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 6.1 t80 -57.25 -41.18 79.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.644 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.1 m-85 -61.41 -20.49 63.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' GLN . 2.2 t -85.35 -64.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.748 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -44.36 -28.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 77' ' ' LEU . 1.1 mt -60.63 -77.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.477 ' CD ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -53.88 -31.15 48.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.77 HD22 HG12 ' A' ' 56' ' ' ILE . 1.6 tt -56.15 -40.18 73.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 76' ' ' ALA . 42.6 t -57.11 -41.65 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.802 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -60.24 -21.38 61.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.499 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -68.91 -67.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.228 -179.932 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.659 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -52.49 -21.92 4.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.477 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -69.97 -14.39 62.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 6.6 t30 -107.79 -14.91 14.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.75 5.49 56.6 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mt -77.6 164.11 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -41.61 163.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 56' ' ' ILE . 4.4 t -103.21 1.12 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -94.51 163.23 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.635 ' HG ' HD11 ' A' ' 59' ' ' LEU . 5.7 mt -61.75 -21.34 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -51.02 -48.4 61.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.487 ' HA ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -73.5 -22.85 60.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.552 HD23 HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -64.05 -36.93 85.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.5 p -51.99 -23.14 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 93' ' ' SER . 1.8 mt -79.23 -166.34 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.13 73.16 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.552 HG11 HD23 ' A' ' 94' ' ' LEU . 8.9 m -54.47 146.55 32.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.802 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 174.98 11.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.2 Cg_endo -75.06 142.53 27.77 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.08 -165.28 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.802 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -99.7 -29.74 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 25.3 m-85 -38.38 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 105' ' ' ASP . 80.6 t60 -79.38 171.15 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.61 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.409 HD23 ' CB ' ' A' ' 11' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m 177.16 174.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.048 HD13 ' CE1' ' A' ' 74' ' ' PHE . 3.9 mt -51.19 -39.7 57.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' GLY . 14.4 m -46.95 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.409 ' CB ' HD23 ' A' ' 7' ' ' LEU . 2.9 mm-40 -57.38 -32.36 66.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.12 -16.73 21.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -149.12 36.64 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.031 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.45 29.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' N ' ' C ' ' A' ' 13' ' ' SER . . . 89.22 58.46 1.66 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 13' ' ' SER . 5.3 t-20 -135.99 108.83 9.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.01 0.79 8.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.544 1.812 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.662 HG13 ' HD1' ' A' ' 19' ' ' TYR . 6.8 p -44.82 -39.3 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.662 ' HD1' HG13 ' A' ' 18' ' ' VAL . 8.6 m-85 -66.58 -36.79 83.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -58.85 -34.33 71.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -51.89 -53.55 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.425 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 15.1 m-85 -68.17 -44.64 75.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 73' ' ' PHE . 48.8 t80 -52.08 -27.52 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -83.96 -28.33 27.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -37.63 85.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.632 HG23 HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -76.07 -40.28 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 28' ' ' ALA . 2.1 tt0 -40.91 143.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 27' ' ' GLU . . . -123.8 144.14 49.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.25 -169.85 54.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -119.01 49.87 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.1 p -108.08 -29.34 9.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.71 25.43 20.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -130.71 145.63 51.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.782 ' O ' HG13 ' A' ' 67' ' ' VAL . 2.0 p -91.68 116.88 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.736 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.9 mt -57.61 -13.72 4.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 88.5 -55.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -47.85 -38.37 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -72.99 -32.11 64.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.801 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -59.17 -40.41 85.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.03 -29.74 66.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -63.05 -55.23 27.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.68 ' HE2' HD21 ' A' ' 77' ' ' LEU . 29.3 t80 -59.89 -40.82 90.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 80' ' ' VAL . 79.4 mt -58.46 -46.37 86.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -20.08 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -78.42 2.46 18.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 103' ' ' PHE . 53.8 p -73.67 -69.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 156.01 -26.57 0.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.713 HD12 HG13 ' A' ' 80' ' ' VAL . 10.3 mt -64.4 163.08 28.27 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HG2' HD23 ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.97 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -97.23 -36.81 10.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -59.94 -54.31 47.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.694 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 mm -61.98 -35.21 67.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 56' ' ' ILE . 10.3 mt -64.09 -52.03 61.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.64 -41.38 3.26 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.69 ' HB2' HG11 ' A' ' 89' ' ' VAL . 4.6 mtmt -62.08 -43.93 97.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 0.713 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.722 HG12 HD22 ' A' ' 79' ' ' LEU . 8.5 mt -56.75 -57.53 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.611 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 28.3 t-105 -55.23 -50.96 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -43.77 -45.98 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.853 HD11 ' HG ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -80.07 -27.53 39.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -63.18 -59.53 4.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -37.67 140.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.64 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.61 38.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.02 -133.71 11.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' CE ' ' OD2' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -162.86 168.92 20.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.473 ' C ' HG23 ' A' ' 67' ' ' VAL . . . 88.31 -16.48 52.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.565 1.166 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 34' ' ' VAL . 26.0 t -154.99 149.61 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.801 HD12 ' CB ' ' A' ' 39' ' ' ALA . 7.5 mt -99.37 179.96 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.04 155.37 45.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB2' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -47.58 -72.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.411 ' H ' ' CG ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -49.97 -60.38 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' VAL . 1.6 mm-40 -39.52 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 23' ' ' TYR . 14.8 t80 -47.2 -42.68 20.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 1.048 ' CE1' HD13 ' A' ' 9' ' ' LEU . 1.2 m-85 -65.9 -23.79 66.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -79.41 -56.13 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -52.52 -46.97 66.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.68 HD21 ' HE2' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -43.49 -63.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.48 ' CZ ' ' HG3' ' A' ' 101' ' ' PRO . 1.9 mmp_? -64.4 -33.33 75.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.722 HD22 HG12 ' A' ' 56' ' ' ILE . 2.4 tt -55.92 -37.8 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.713 HG13 HD12 ' A' ' 48' ' ' LEU . 92.2 t -60.5 -37.42 74.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.872 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.59 -18.7 64.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.753 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.7 OUTLIER -72.46 -70.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.41 -22.58 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG2' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.45 -13.52 30.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.455 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.8 t30 -109.8 -14.04 14.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.47 6.91 49.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.5 mt -77.71 169.59 18.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.07 162.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.69 HG11 ' HB2' ' A' ' 55' ' ' LYS . 11.8 t -104.93 -0.02 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.2 m -94.41 164.33 13.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.853 ' HG ' HD11 ' A' ' 59' ' ' LEU . 6.9 mt -60.72 -22.79 64.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.68 -47.97 58.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.521 ' HA ' HD12 ' A' ' 96' ' ' LEU . 1.3 m -72.65 -23.94 60.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.609 HD23 HG11 ' A' ' 98' ' ' VAL . 0.3 OUTLIER -62.4 -36.46 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.5 p -52.87 -22.68 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 93' ' ' SER . 2.0 mt -80.65 -167.62 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.21 74.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.753 HG12 ' SG ' ' A' ' 82' ' ' CYS . 5.7 m -53.06 144.61 27.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.872 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 174.88 12.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -75.02 139.79 24.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -162.94 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -101.86 -30.38 11.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 46' ' ' SER . 28.6 m-85 -38.47 161.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -65.65 137.07 57.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.615 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 71' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.89 152.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.584 HD22 ' CG ' ' A' ' 74' ' ' PHE . 5.8 mt -59.87 -36.85 77.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' SER . 7.7 p -56.39 -49.58 74.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -32.55 58.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -48.52 -43.6 35.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.74 56.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER 58.69 14.92 3.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 81.51 42.66 9.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.722 ' CG ' HG12 ' A' ' 18' ' ' VAL . 34.9 t-20 -71.17 118.19 63.49 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.26 21.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.722 HG12 ' CG ' ' A' ' 16' ' ' ASN . 14.2 p -46.03 -41.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.64 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 15.8 m-85 -66.29 -37.69 86.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -38.14 34.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.552 ' HG2' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -53.03 -43.49 66.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 12.6 m-85 -74.4 -49.83 20.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 3.1 t80 -54.27 -28.3 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -29.11 35.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -32.9 72.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.591 HG12 ' HB2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -86.81 -26.02 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.31 140.42 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.36 166.1 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.58 -170.55 1.3 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -124.27 52.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.2 p -111.94 -31.23 6.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.76 14.68 22.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' CZ ' HG11 ' A' ' 67' ' ' VAL . 4.0 mmm180 -115.1 141.22 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.965 ' O ' HG13 ' A' ' 67' ' ' VAL . 6.2 p -101.76 117.13 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.664 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -61.95 -12.81 20.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 81.68 -51.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ALA . 3.3 mm? -38.98 -46.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -64.43 -47.31 79.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.574 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -48.03 -38.97 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.07 -33.79 76.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ASP . . . -70.63 -47.83 58.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.591 ' HB2' HG12 ' A' ' 26' ' ' VAL . 21.4 t80 -55.25 -39.54 69.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 80' ' ' VAL . 70.3 mt -55.67 -44.6 77.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -53.44 -23.12 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -78.82 2.7 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 79.5 p -78.17 -74.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.443 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 163.83 -30.29 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.702 HD12 HG13 ' A' ' 80' ' ' VAL . 16.4 mt -69.38 161.51 73.08 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.542 0.789 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -171.9 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -87.76 -33.41 18.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -59.45 -68.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.482 HG21 ' HB1' ' A' ' 83' ' ' ALA . 4.9 mm -51.31 -37.17 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 56' ' ' ILE . 8.8 mt -62.49 -49.01 77.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.07 -39.91 3.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.871 ' HB2' HG11 ' A' ' 89' ' ' VAL . 16.5 mttt -65.56 -42.38 91.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.674 HG13 HG13 ' A' ' 89' ' ' VAL . 17.1 mt -57.01 -56.19 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.631 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 36.8 t-105 -55.43 -51.44 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -44.09 -44.22 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.785 HD11 ' HG ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -81.03 -27.62 35.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -67.44 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.3 t70 -37.82 136.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.6 m -151.39 -44.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -60.0 -49.46 77.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.79 -66.89 0.49 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -41.08 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 36' ' ' ALA . . . 174.65 -50.12 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.965 HG13 ' O ' ' A' ' 34' ' ' VAL . 22.9 t -38.76 148.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.587 ' HB2' HG11 ' A' ' 34' ' ' VAL . 30.7 mt -100.31 163.43 12.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -111.05 -148.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -83.18 -96.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -44.26 -29.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -49.64 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 4.2 t80 -51.15 -31.7 20.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 19' ' ' TYR . 2.2 m-85 -69.99 -21.43 63.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 76' ' ' ALA . 2.1 t -83.55 -62.2 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.8 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -47.38 -26.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -65.78 -74.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.502 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -51.63 -29.91 19.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.686 ' CD1' HD12 ' A' ' 59' ' ' LEU . 1.1 tt -57.74 -43.55 85.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 76' ' ' ALA . 85.0 t -54.72 -36.94 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.872 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -63.88 -17.43 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.798 ' SG ' HG12 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -76.98 -70.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.259 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -50.46 -23.4 2.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.456 ' N ' HD11 ' A' ' 48' ' ' LEU . 2.3 mm-40 -56.27 -25.0 46.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -103.57 -16.71 15.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.95 12.95 21.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 mt -77.91 172.78 12.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 93' ' ' SER . 2.9 tp10 -51.29 161.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.871 HG11 ' HB2' ' A' ' 55' ' ' LYS . 34.7 t -104.24 -1.47 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.6 m -94.23 165.35 12.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.785 ' HG ' HD11 ' A' ' 59' ' ' LEU . 6.1 mt -61.45 -21.37 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -51.34 -48.75 62.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.036 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 88' ' ' GLU . 86.1 p -73.3 -22.48 60.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.478 ' CB ' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -65.48 -36.88 85.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.7 p -53.28 -25.02 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.08 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 93' ' ' SER . 1.4 mt -77.3 -163.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.78 64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.798 HG12 ' SG ' ' A' ' 82' ' ' CYS . 9.7 m -43.57 146.28 0.98 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.872 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 174.82 12.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.5 Cg_endo -74.97 140.76 25.9 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 111.049 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.99 -164.6 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.73 -30.15 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 27.6 m-85 -38.92 161.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.84 170.75 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.609 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 8' ' ' SER . 7.4 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER 163.78 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.988 HD22 ' CG ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -55.67 -41.92 74.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' SER . 6.4 m -47.51 -54.32 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -76.36 -32.11 58.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.338 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.05 -42.04 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.41 58.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 54.79 18.63 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 10' ' ' THR . . . 77.23 29.88 55.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -55.82 121.06 37.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.47 7.72 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 p -56.74 -43.0 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.634 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 18.1 m-85 -66.77 -34.62 78.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -33.77 65.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -38.15 85.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 20.4 m-85 -77.79 -42.64 33.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.534 ' CE1' HG11 ' A' ' 34' ' ' VAL . 13.8 t80 -54.04 -33.26 56.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -24.69 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -34.94 77.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.641 HG23 HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -87.6 -25.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -61.77 117.12 5.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.084 ' HB3' HG21 ' A' ' 31' ' ' THR . . . -49.41 166.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.993 ' O ' HG23 ' A' ' 31' ' ' THR . . . -79.89 149.66 31.61 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 18.6 t-20 37.26 51.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 1.084 HG21 ' HB3' ' A' ' 28' ' ' ALA . 22.2 p -119.9 -38.41 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.92 -22.88 8.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 164.18 28.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 67' ' ' VAL . 1.9 p -92.35 112.2 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.728 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -57.1 -15.0 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.793 ' HB1' ' CZ2' ' A' ' 57' ' ' TRP . . . 86.56 -48.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -40.07 -45.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.1 m-20 -73.4 -41.82 62.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.598 ' CB ' HD12 ' A' ' 68' ' ' LEU . . . -51.69 -38.45 55.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.68 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . . . -70.73 -32.37 69.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.12 68.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.556 ' HB2' HG12 ' A' ' 26' ' ' VAL . 83.8 t80 -66.42 -29.08 69.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 45' ' ' LYS . 72.3 mt -75.01 -46.74 33.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -20.9 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 43' ' ' LEU . 2.2 mmmt -71.06 -5.08 28.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.538 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 24.2 p -68.24 -55.95 10.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.23 -35.9 1.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.519 HD12 HG13 ' A' ' 80' ' ' VAL . 2.1 mt -60.69 162.35 12.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.409 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 -165.45 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.781 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -95.23 -28.61 14.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.452 HD23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -60.48 -61.07 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.452 HG13 HD23 ' A' ' 51' ' ' LEU . 1.8 mt -56.03 -37.2 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.56 HD23 HD12 ' A' ' 56' ' ' ILE . 7.9 mt -63.6 -49.5 73.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -40.14 -44.94 3.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HB2' HG11 ' A' ' 89' ' ' VAL . 6.5 mtmt -60.62 -45.46 93.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 0.734 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.849 HG23 HD13 ' A' ' 79' ' ' LEU . 57.8 mt -55.87 -55.62 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.793 ' CZ2' ' HB1' ' A' ' 36' ' ' ALA . 16.8 t-105 -55.35 -55.85 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 108.021 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.34 -29.52 4.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.566 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.9 tm? -88.8 -29.31 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' ILE . . . -71.29 -58.91 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ALA . 37.8 t70 -39.48 126.0 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -164.64 -43.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -46.87 -40.24 13.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.88 11.39 16.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.52 142.24 26.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . -43.8 -48.81 7.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 34' ' ' VAL . 38.9 t -45.36 147.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.598 HD12 ' CB ' ' A' ' 39' ' ' ALA . 21.3 mt -102.12 173.55 6.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -128.24 -156.31 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -77.05 -88.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' CG ' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -38.02 -52.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -43.71 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' A' ' 23' ' ' TYR . 48.4 t80 -51.67 -32.17 28.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.988 ' CG ' HD22 ' A' ' 9' ' ' LEU . 2.8 m-85 -79.94 -0.88 36.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.451 HG11 HD11 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -104.46 -55.29 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 80' ' ' VAL . . . -56.61 -31.74 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -55.02 -72.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.489 ' CZ ' ' OH ' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -55.4 -32.77 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.849 HD13 HG23 ' A' ' 56' ' ' ILE . 2.0 tt -50.25 -48.27 54.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.519 HG13 HD12 ' A' ' 48' ' ' LEU . 79.7 t -51.68 -43.71 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -56.91 -18.38 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 79' ' ' LEU . 1.6 t -73.49 -69.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 108.304 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.6 -21.41 3.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.455 ' HG2' HD11 ' A' ' 48' ' ' LEU . 2.5 mm-40 -62.13 -25.6 67.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.465 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 29.5 t-20 -100.17 -10.85 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.43 11.48 47.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 70.7 mt -77.81 179.26 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.41 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 5.2 tt0 -58.18 166.51 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 55' ' ' LYS . 10.9 t -107.57 -10.16 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 94' ' ' LEU . 3.6 m -94.46 141.42 28.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.066 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.707 ' HA ' HD23 ' A' ' 94' ' ' LEU . 3.8 mt -52.36 -24.34 7.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -53.28 -20.5 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.582 ' O ' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -121.09 32.16 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.936 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.707 HD23 ' HA ' ' A' ' 91' ' ' LEU . 4.4 mm? -111.35 -176.05 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 p 72.78 27.73 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.582 HD11 ' O ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -109.94 -165.88 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.25 61.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.2 m -72.25 154.68 92.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.47 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.04 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.4 Cg_endo -74.96 146.88 33.36 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.03 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 46' ' ' SER . 1.9 tpt180 -99.61 -31.36 11.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 22.8 m-85 -40.14 162.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 173.21 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -36.36 149.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.996 -179.965 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.005 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 1.3 mt -57.4 -37.01 72.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' SER . 17.3 m -53.92 -51.08 64.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -33.08 57.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -51.44 -45.76 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.21 55.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' THR . 0.3 OUTLIER 59.88 13.82 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.44 ' N ' ' HA ' ' A' ' 10' ' ' THR . . . 81.76 42.56 8.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.686 ' CG ' HG12 ' A' ' 18' ' ' VAL . 38.0 t-20 -67.35 126.1 92.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' GLU . 18.3 Cg_endo -75.01 -18.59 18.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.686 HG12 ' CG ' ' A' ' 16' ' ' ASN . 10.0 p -41.86 -44.97 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.703 ' CB ' ' CZ ' ' A' ' 74' ' ' PHE . 17.8 m-85 -66.66 -38.83 87.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -54.83 -39.84 68.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.44 -52.8 15.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -67.59 -52.81 34.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.796 ' CE1' HG21 ' A' ' 34' ' ' VAL . 12.5 t80 -52.79 -23.07 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -24.65 28.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -63.96 -38.81 92.45 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' A' ' 42' ' ' PHE . 1.2 m -67.43 -34.5 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -38.98 146.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.23 169.0 18.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.08 -167.02 7.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -116.24 47.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.48 -29.54 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.38 -0.2 80.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -116.25 158.7 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.796 HG21 ' CE1' ' A' ' 23' ' ' TYR . 75.8 t -85.21 114.55 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.688 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 1.7 mt -63.51 -11.58 25.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . 85.19 -53.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -40.37 -57.79 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.701 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -57.71 -39.51 77.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 36' ' ' ALA . . . -48.63 -53.28 19.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.24 -24.82 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 38' ' ' ASP . . . -71.5 -55.46 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.624 ' HB2' HG12 ' A' ' 26' ' ' VAL . 47.5 t80 -55.46 -29.77 59.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.04 -48.25 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -54.21 -19.95 6.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -78.29 1.41 21.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 91.2 p -74.94 -78.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' OG ' ' A' ' 46' ' ' SER . . . 164.18 -27.26 0.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.566 HD12 HG13 ' A' ' 80' ' ' VAL . 13.0 mt -71.15 162.67 71.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.78 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.443 ' O ' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.01 175.87 10.67 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.96 -30.23 44.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -60.07 -64.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.544 HG23 HG21 ' A' ' 89' ' ' VAL . 1.9 mt -56.6 -35.16 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 49' ' ' PRO . 6.9 mt -62.63 -50.09 72.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.65 -44.67 4.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -61.85 -42.53 99.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.517 ' CG1' ' CG1' ' A' ' 89' ' ' VAL . 31.9 mt -57.19 -57.65 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.512 ' HA ' ' HB3' ' A' ' 60' ' ' ALA . 20.9 t-105 -55.51 -53.72 52.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -43.73 -46.5 7.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 91' ' ' LEU . 2.2 tm? -75.46 -30.64 60.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 57' ' ' TRP . . . -65.36 -65.56 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' ALA . 34.1 t0 -38.9 131.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m -155.35 -46.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -64.8 -55.53 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.94 -116.65 0.42 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.21 163.44 15.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.501 ' O ' HG22 ' A' ' 67' ' ' VAL . . . 85.37 -15.38 45.7 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 66' ' ' GLY . 0.9 OUTLIER -154.26 162.55 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 0.8 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.532 ' CD1' ' CB ' ' A' ' 39' ' ' ALA . 89.6 mt -120.36 158.18 27.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.428 ' HB2' ' HG2' ' A' ' 72' ' ' GLU . 56.1 m -91.03 -98.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -159.26 -63.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER -54.47 -46.54 73.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' N ' ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -49.32 -70.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 23' ' ' TYR . 1.4 t80 -53.16 -23.68 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 1.005 ' CZ ' HD13 ' A' ' 9' ' ' LEU . 1.4 m-85 -77.22 -20.95 54.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.613 HG11 HD11 ' A' ' 91' ' ' LEU . 1.1 t -87.07 -56.51 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.553 ' N ' HG12 ' A' ' 75' ' ' VAL . . . -48.8 -37.06 18.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -49.3 -68.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' NH1' ' OH ' ' A' ' 19' ' ' TYR . 5.2 mmp_? -64.6 -25.59 68.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.496 ' CD2' HD21 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -58.41 -38.71 77.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 ' HB2' ' A' ' 46' ' ' SER . 17.3 t -60.41 -51.16 76.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.873 ' HB1' ' O ' ' A' ' 99' ' ' PRO . . . -55.38 -24.26 28.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.584 ' HA ' HG23 ' A' ' 98' ' ' VAL . 0.5 OUTLIER -71.12 -66.17 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.305 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.25 -21.72 60.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -60.95 -13.89 19.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.474 ' HB2' ' CG ' ' A' ' 99' ' ' PRO . 2.9 t-20 -112.78 16.64 19.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.74 10.48 86.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.592 1.182 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.3 mt -78.31 167.64 21.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.495 ' CB ' ' CB ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -50.46 170.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.544 HG21 HG23 ' A' ' 52' ' ' ILE . 16.3 t -115.03 -9.8 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.762 ' O ' HD23 ' A' ' 94' ' ' LEU . 12.0 m -94.39 151.41 19.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.613 HD11 HG11 ' A' ' 75' ' ' VAL . 7.3 mt -64.3 -23.75 67.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 m -58.76 -20.15 46.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.495 ' CB ' ' CB ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -119.9 32.33 6.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 90' ' ' SER . 3.6 mm? -109.09 -169.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.9 t 64.38 38.81 7.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.71 -157.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.88 54.85 3.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.584 HG23 ' HA ' ' A' ' 82' ' ' CYS . 1.6 p -63.92 128.14 92.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.873 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 174.77 12.21 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.435 1.755 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 18.3 Cg_endo -74.98 144.4 30.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.553 1.818 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -74.97 -165.32 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.809 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' PHE . 15.9 ttt-85 -99.69 -30.05 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 28.6 m-85 -38.52 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -66.99 170.42 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.629 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 stop_ save_