data_1m4p_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 1m4p _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -41.01 -41.76 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -63.59 -45.13 91.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.939 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -73.07 -22.25 60.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.247 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' MET . 1.2 tp -60.99 -62.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.26 -24.44 1.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 8' ' ' LEU . 4.3 mttt -83.81 -37.21 22.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mtp -64.28 -10.01 21.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.563 HG13 ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -117.84 -86.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t 47.55 30.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.064 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -129.39 -45.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.563 ' CE2' HG13 ' A' ' 12' ' ' VAL . 2.4 m-85 -38.61 154.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -45.87 68.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -131.56 71.85 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.56 -54.03 10.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -55.92 -56.26 22.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.232 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -36.6 62.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -69.77 -58.4 3.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.432 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 38.6 t -51.04 -34.14 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -71.11 -34.93 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.405 ' OE1' ' CD1' ' A' ' 125' ' ' LEU . 0.8 OUTLIER -73.68 -37.25 65.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.9 m -69.39 -55.16 11.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.441 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' THR . 16.0 m -52.65 -42.32 40.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -54.39 -47.23 72.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 125' ' ' LEU . 43.6 t -56.53 -67.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 33' ' ' LYS . 41.0 pt -54.34 -24.27 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.9 m -76.77 -19.73 57.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.46 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' A' ' 32' ' ' TYR . 1.2 tp -94.62 -37.91 11.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CE1' HD23 ' A' ' 31' ' ' LEU . 22.5 m-85 -96.38 -58.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER 82.01 1.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.19 -23.73 12.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.2 163.6 21.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.6 OUTLIER -151.28 130.07 6.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 125.43 9.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.06 157.26 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.0 143.69 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -141.82 145.84 35.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -125.66 106.66 9.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.948 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 1.9 t80 -126.76 168.36 14.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.1 m -89.74 150.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD2' ' HD2' ' A' ' 50' ' ' ARG . 52.9 m-85 -154.26 -66.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.993 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.7 m-20 -51.51 93.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' PHE . 32.0 t0 44.16 27.46 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.89 53.28 2.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -128.63 123.58 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.793 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p -43.34 136.55 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HD2' ' CD2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -149.01 137.07 20.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -71.52 132.15 44.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.24 132.26 27.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.84 168.99 10.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 4.3 p-10 -172.02 150.29 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -100.41 144.5 29.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 36' ' ' LYS . 9.8 t -151.84 153.07 33.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.45 170.76 13.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.5 p -97.97 113.01 24.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 0.769 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 60' ' ' PRO . 63.9 mt -81.07 142.13 51.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.02 91.24 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.47 114.72 51.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 159.31 41.94 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.77 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.3 -162.59 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -11.45 60.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 66' ' ' ASN . . . 179.47 36.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.408 ' O ' ' OG1' ' A' ' 67' ' ' THR . 5.3 m-80 -163.8 -177.06 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 66' ' ' ASN . 41.1 m -157.25 105.15 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.532 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 7.3 m-85 -93.26 -174.29 3.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -124.53 116.98 23.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.191 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.421 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -111.82 129.31 24.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -75.04 145.66 31.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.9 mt -152.92 143.61 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.8 t -143.22 133.1 24.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 108.271 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.42 ' CD2' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -143.89 144.33 31.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.425 ' O ' ' CB ' ' A' ' 84' ' ' PRO . 30.1 m95 -86.1 133.34 33.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 107.954 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.04 112.32 24.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mt -66.82 -173.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.557 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 2.6 p-10 -77.77 -59.32 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 79' ' ' THR . 1.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.425 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.2 Cg_endo -75.04 114.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -17.72 19.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.607 1.846 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mt -85.91 90.16 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 84' ' ' PRO . 37.4 m -135.38 97.94 3.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -127.81 156.8 41.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 90' ' ' LYS . 8.3 p -84.94 145.31 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' N ' HG21 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -119.61 79.3 22.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.48 33.28 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 111.055 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 65.8 p -81.63 -150.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -16.45 12.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.62 5.87 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.06 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.0 mtt -95.63 -169.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 m -150.31 95.73 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.12 139.94 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.601 1.188 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -112.58 123.35 50.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 67.0 p -76.36 140.15 41.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -164.49 -155.82 8.59 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.92 -20.94 32.13 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.427 0.722 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.567 ' CE1' HG23 ' A' ' 134' ' ' VAL . 17.8 m-70 -94.67 -38.1 10.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.626 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.42 147.97 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.481 ' O ' ' CG2' ' A' ' 99' ' ' THR . 4.5 t0 -104.63 -54.3 2.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 179.16 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.52 -7.66 54.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.56 22.76 55.55 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.11 121.7 32.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.9 mt -60.2 130.93 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -89.57 -161.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 102' ' ' HIS . 4.8 mt 68.2 159.97 0.14 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.6 Cg_endo -74.89 -45.53 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.438 ' CZ ' HG13 ' A' ' 130' ' ' VAL . 1.1 m-85 59.94 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 112' ' ' PRO . 2.0 tp -56.83 -33.75 67.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -98.72 23.5 8.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.626 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -122.03 -71.77 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.612 ' CZ2' ' CD2' ' A' ' 119' ' ' HIS . 47.1 t-105 -68.63 -81.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.54 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 41.16 41.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.938 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -52.3 -46.02 94.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.586 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.938 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.95 -49.29 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.047 0.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.445 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.2 tm0? 62.77 -62.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.8 t -52.64 161.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 126' ' ' GLY . 67.5 m-20 -134.28 168.74 18.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.99 -42.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 28' ' ' VAL . 6.6 mp -66.87 -48.3 69.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -56.91 -36.52 73.57 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.47 -57.77 11.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.4 ' C ' ' HG2' ' A' ' 131' ' ' MET . 2.5 mp -65.86 -15.79 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -40.67 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.438 HG13 ' CZ ' ' A' ' 113' ' ' TYR . 21.2 t -61.23 -47.79 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 132' ' ' ILE . 11.7 ptp -62.86 -35.95 81.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.455 ' CD1' HG23 ' A' ' 59' ' ' ILE . 41.9 mt -65.84 -32.19 57.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 33.2 t -70.62 -35.69 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.399 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 102' ' ' HIS . 25.1 t -81.57 -41.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -73.59 -8.12 54.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -97.11 -31.81 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -77.74 -54.78 5.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 0.799 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.41 153.94 43.22 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.34 3.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.7 9.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.449 1.763 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 10.1 p -172.06 55.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -54.07 130.08 36.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' B' ' 208' ' ' THR . 0.4 OUTLIER -83.67 173.62 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.009 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.415 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -109.42 157.64 36.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.8 pt-20 -51.39 148.89 8.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.99 -89.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 80.01 -54.5 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 85.8 150.76 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.516 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.05 137.87 22.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.78 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.532 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.05 172.62 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -93.89 163.12 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 110.237 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' B' ' 212' ' ' GLU . 4.7 pt-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.24 -42.3 73.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -44.8 92.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -39.2 88.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.66 -50.44 70.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -63.73 -25.48 68.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.96 -12.91 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.3 mtm -97.08 15.09 23.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG1' ' HG3' ' A' ' 53' ' ' MET . 0.3 OUTLIER -143.19 -100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t 70.39 -59.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -44.75 -30.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 78' ' ' ASP . 2.2 m-85 -55.5 134.56 50.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -41.78 -51.93 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -126.47 55.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -43.39 -27.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 2.4 t70 -72.58 -58.05 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -37.35 66.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.6 m -68.03 -47.71 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 t -57.53 -45.84 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -37.33 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -74.84 -36.24 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.448 ' CG2' ' HE2' ' A' ' 53' ' ' MET . 88.0 m -70.76 -54.56 11.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 30' ' ' THR . 33.5 m -54.69 -41.31 55.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -54.62 -49.68 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.377 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 31' ' ' LEU . 2.9 t -53.46 -67.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.414 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 35.1 pt -52.32 -27.95 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.4 m -73.43 -27.47 61.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -84.52 -35.27 23.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.518 ' CZ ' HG22 ' A' ' 128' ' ' ILE . 3.1 m-85 -84.88 -60.09 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 86.09 -8.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -113.59 -22.68 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.414 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 3.9 tp -82.93 131.01 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -115.7 144.16 32.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 132.58 15.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.763 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -124.58 151.27 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' CD2' ' HG2' ' A' ' 53' ' ' MET . 0.4 OUTLIER -120.13 147.85 44.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -152.93 141.57 20.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -107.69 110.95 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.539 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 2.3 t80 -113.32 162.51 15.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.534 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 4.8 m -103.17 136.23 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CE1' ' CD2' ' A' ' 42' ' ' TYR . 16.9 m-85 -147.41 -54.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 90.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 52.09 24.32 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.3 35.6 7.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -107.14 128.16 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.996 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -54.36 142.29 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -148.0 156.68 42.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.366 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.33 123.0 29.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 3.3 tm? -127.17 128.41 46.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.472 ' HG2' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -90.82 133.88 34.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 5.7 p-10 -144.4 164.16 31.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mt -122.13 157.88 30.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 t -156.96 159.09 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 110.365 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 134.89 -179.48 17.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 110.939 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.4 p -100.51 130.24 46.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 110.376 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.453 ' HB ' ' CE1' ' A' ' 32' ' ' TYR . 15.4 pt -100.73 147.63 33.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 94.14 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.87 116.02 65.94 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 138.69 23.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -133.17 -179.77 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.403 ' O ' ' NH1' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -68.14 -11.36 59.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.05 -40.01 1.89 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 169.08 -178.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.5 m -91.28 107.88 19.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.379 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.7 m-85 -91.03 -167.65 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -122.78 110.91 16.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.433 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -112.59 127.84 26.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -75.0 152.14 40.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.572 1.827 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 73' ' ' CYS . 2.4 mt -150.74 158.68 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 53.6 t -139.76 117.24 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.506 ' CD1' ' SG ' ' A' ' 87' ' ' CYS . 3.0 mm? -117.39 144.21 45.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -111.66 108.56 18.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 107.989 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.429 ' CD1' HD23 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -93.95 120.7 34.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.495 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -76.87 -167.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.388 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 4.3 m-20 -83.48 -54.07 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 113.69 3.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.4 mt 49.84 94.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 26.8 m -127.97 119.14 24.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.08 165.44 35.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 9.9 p -92.81 149.93 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.44 78.08 27.51 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.06 25.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.576 1.829 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 18.9 p -82.06 -140.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.07 -41.07 2.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -5.66 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.474 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.6 mtt -75.63 -170.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.4 m -151.8 96.07 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.429 HD11 ' CA ' ' A' ' 107' ' ' GLY . 1.3 tt -58.01 151.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -132.75 94.33 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 68.7 p -66.04 147.24 53.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.83 -140.16 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.83 47.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.308 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -162.35 -48.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.639 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.8 t -115.0 139.8 39.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.496 ' O ' ' CG2' ' A' ' 99' ' ' THR . 1.6 t70 -84.92 -67.53 0.79 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 172.47 39.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.05 15.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.473 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 57.78 33.94 69.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.127 . . . . 0.0 111.078 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 141.88 51.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.8 mt -63.92 134.16 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 111' ' ' LEU . 24.5 t80 -81.12 -55.86 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 110' ' ' TYR . 4.9 mt -39.78 147.51 0.34 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.3 Cg_endo -75.04 -38.03 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 112' ' ' PRO . 3.5 m-30 57.33 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER -55.1 -34.75 63.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 29.33 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.638 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -133.07 -67.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.511 ' CD1' ' HB2' ' A' ' 122' ' ' SER . 34.1 t-105 -69.27 -77.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 107.995 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.539 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 39.67 40.63 0.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.153 . . . . 0.0 109.348 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.97 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -52.63 -45.86 96.12 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.97 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.9 -48.37 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.06 -0.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 2.0 tm0? 61.39 -64.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.614 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.9 OUTLIER -54.74 155.27 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 110.037 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 126' ' ' GLY . 27.3 m-20 -133.35 170.72 15.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -46.16 -39.8 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.26 -39.92 95.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -66.43 -52.48 35.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.4 tt -43.07 -54.34 4.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.776 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.518 HG22 ' CZ ' ' A' ' 32' ' ' TYR . 1.5 mp -58.5 -36.45 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' GLY . 24.8 tt0 -63.24 -47.08 83.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.2 t -62.9 -42.17 95.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.9 tpp -64.19 -40.6 96.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.5 mt -57.76 -37.98 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.28 -51.59 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.8 t -50.33 -51.04 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -95.88 24.92 5.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.29 -9.2 13.46 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -105.47 -53.79 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 0.71 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 16.1 mp0 -101.92 149.84 36.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 138' ' ' GLU . 18.4 Cg_endo -75.01 -27.92 9.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 13.1 p -171.22 61.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 21.9 p90 -62.76 131.21 48.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.0 t -94.76 162.92 13.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 143' ' ' SER . 11.7 mtt180 56.81 161.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.22 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 110.953 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 111.042 -0.407 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -52.45 150.67 8.59 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.48 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.94 -87.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 79.24 -56.22 0.42 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 87.0 152.37 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.433 ' CD ' HD12 ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.07 140.7 25.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.9 -170.91 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -100.0 -146.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.3 pp20? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -40.17 -44.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.11 -45.01 94.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.2 tp60 -68.42 -34.1 75.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' MET . 1.1 tp -54.5 -51.29 65.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.31 -25.17 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -80.64 -26.13 37.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.36 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.453 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 55.0 mtt -67.92 -18.43 64.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.534 HG12 ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.27 -88.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.85 -59.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.82 62.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.534 ' CD2' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -125.35 123.67 39.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HB3' ' CG2' ' A' ' 79' ' ' THR . 0.2 OUTLIER -39.85 -52.37 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.74 46.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -43.88 -31.43 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -57.29 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 tp -53.65 -40.13 65.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.4 m -64.96 -52.35 56.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 13.1 t -57.3 -36.58 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 3.4 ttt180 -65.34 -29.94 70.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.179 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -75.95 -29.02 58.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.6 m -85.93 -50.4 7.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 30' ' ' THR . 18.9 m -46.52 -54.59 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.243 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.48 ' CG ' ' N ' ' A' ' 28' ' ' VAL . 3.7 p-10 -62.05 -45.95 91.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.376 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.567 HG11 ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -53.75 -63.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.0 pt -58.16 -34.03 48.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 18.4 m -73.58 -16.35 61.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.452 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' ASN . 4.7 tp -88.1 -44.29 11.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.567 ' CE2' HG11 ' A' ' 28' ' ' VAL . 4.2 m-85 -87.74 -57.22 3.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER 83.66 -3.09 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.388 1.055 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.39 -24.09 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tp -86.79 140.2 29.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 10.4 ttmt -123.72 143.8 42.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.06 130.09 12.89 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.541 1.811 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 2.3 p -127.28 164.29 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -128.32 135.29 49.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.48 158.61 43.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -130.48 146.78 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.066 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 1.7 t80 -150.01 156.56 41.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 m -83.41 139.87 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 42' ' ' TYR . 73.5 m-85 -144.35 -67.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.062 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 98.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t0 47.74 27.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.68 50.17 3.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.6 p -114.89 113.1 23.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -62.88 133.06 54.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.414 ' CZ ' HD11 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -144.59 148.87 34.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.69 139.24 51.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.533 ' HB3' ' CZ3' ' A' ' 75' ' ' TRP . 0.2 OUTLIER -150.2 129.16 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.469 ' CG ' HG11 ' A' ' 12' ' ' VAL . 3.5 mmm -60.83 158.55 12.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 55' ' ' LEU . 9.0 t30 -167.99 152.93 6.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.418 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 1.4 mt -118.65 155.8 30.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.7 t -158.2 150.12 21.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.3 171.83 16.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -102.64 99.11 9.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.741 . . . . 0.0 110.437 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -69.43 149.27 97.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 90.1 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.86 114.03 28.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.7 41.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.782 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -128.26 -172.57 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -63.0 -12.41 25.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.08 42.26 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -169.37 -179.31 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 0.806 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.6 m -154.45 107.26 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 4.2 m-85 -97.68 -172.82 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -123.16 115.79 22.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.441 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -115.25 127.09 27.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.437 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.5 Cg_endo -75.0 145.68 31.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 73' ' ' CYS . 2.7 mt -152.65 161.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 1.1 m -141.89 125.91 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 108.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -129.74 132.6 46.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.533 ' CZ3' ' HB3' ' A' ' 52' ' ' LEU . 10.4 m95 -95.11 152.67 18.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 124' ' ' LEU . 1.2 mp -140.24 135.9 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -94.5 -169.38 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.551 ' O ' ' CG2' ' A' ' 79' ' ' THR . 8.4 p30 -81.96 -51.39 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.551 ' CG2' ' O ' ' A' ' 78' ' ' ASP . 7.5 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.23 3.57 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.413 1.744 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.1 mt -111.05 85.16 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.75 125.08 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.528 1.143 . . . . 0.0 108.259 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 2.5 p90 -153.78 148.89 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 8.7 p -90.08 151.25 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -123.0 76.39 50.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.38 24.93 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.5 1.789 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.418 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 82.0 p -84.42 -164.03 0.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.44 -16.84 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -97.66 -2.24 41.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.434 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.8 mtt -81.29 -166.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.6 m -150.13 108.04 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.415 ' CD1' ' HA2' ' A' ' 107' ' ' GLY . 1.2 tt -76.3 146.35 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -118.24 99.58 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.6 p -72.26 149.85 44.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.32 -138.24 5.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -92.42 47.07 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.528 ' CD2' ' CG1' ' A' ' 134' ' ' VAL . 12.4 m80 -157.71 -46.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.61 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.5 t -117.98 177.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 1.0 OUTLIER -119.04 -55.04 2.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 168.8 -38.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.64 1.88 52.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.415 ' HA2' ' CD1' ' A' ' 97' ' ' ILE . . . 96.07 -20.85 48.22 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 128.78 35.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.29 126.16 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -142.53 93.86 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -172.62 161.01 4.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 90.74 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.552 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -144.86 -52.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.26 -26.71 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 38.45 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.561 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.0 -66.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.51 ' CH2' ' CE1' ' A' ' 119' ' ' HIS . 30.6 t-105 -65.21 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.516 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER 43.42 41.05 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.943 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.6 -45.99 98.42 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.545 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.943 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -75.01 -46.36 0.38 Allowed 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.053 -0.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 26.4 tp60 61.94 -67.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 120' ' ' PRO . 6.2 t -41.89 162.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 124' ' ' LEU . 4.8 m-20 -133.52 170.33 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 76' ' ' LEU . 2.0 mm? -39.46 -53.02 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.44 ' CD1' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -53.33 -54.49 35.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.48 -41.43 80.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.562 1.164 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.18 -55.75 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.501 ' CG2' ' OH ' ' A' ' 32' ' ' TYR . 1.7 mt -62.78 -35.14 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.92 -46.81 88.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.336 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.482 ' CG1' ' CE1' ' A' ' 113' ' ' TYR . 2.9 t -66.65 -40.44 86.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.6 ttm -68.07 -36.38 79.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.402 HD11 ' CG2' ' A' ' 128' ' ' ILE . 11.0 mt -62.73 -35.2 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 30.8 t -77.39 -33.27 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.528 ' CG1' ' CD2' ' A' ' 102' ' ' HIS . 38.6 t -74.28 -46.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.03 -4.31 56.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.97 -48.55 2.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -31.23 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -123.88 146.52 51.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 113.9 3.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.441 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 18.3 Cg_endo -75.0 -27.74 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.6 p -172.96 57.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.471 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 21.5 p90 -56.38 125.94 24.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -81.16 173.37 12.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.019 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.412 ' N ' ' OG ' ' A' ' 143' ' ' SER . 1.1 ptt85 -120.33 147.99 46.39 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 111.042 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.2 pt-20 -49.14 149.0 3.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' B' ' 208' ' ' THR . 18.2 Cg_endo -75.03 -88.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 79.65 -54.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.444 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.68 150.66 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.03 134.27 17.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.99 170.59 20.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.808 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.0 OUTLIER -93.66 158.68 15.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -38.86 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.238 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.75 -49.42 77.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.045 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -44.04 91.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.356 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -57.75 -50.55 72.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -63.74 -29.71 70.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -76.79 -12.82 60.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.408 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 35.7 mtp -94.08 -5.58 47.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -128.83 -103.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER 84.59 -47.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -110.28 63.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD1' ' OD1' ' A' ' 78' ' ' ASP . 0.6 OUTLIER -122.45 142.37 50.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -39.33 -53.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.444 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 94.2 m-85 -136.56 71.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 7.4 mtm180 -42.95 -37.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -71.52 -58.17 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 11.7 tp -52.87 -37.33 60.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.228 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.436 HG23 ' CD2' ' A' ' 15' ' ' TYR . 91.3 m -69.02 -51.36 39.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 18' ' ' ARG . 41.4 t -55.39 -47.95 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -59.96 -43.31 95.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -38.04 89.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.5 m -73.12 -62.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 30' ' ' THR . 14.5 m -48.04 -44.55 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -55.24 -48.82 73.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 t -56.17 -66.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 43.5 pt -54.31 -21.64 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.1 m -81.67 -19.76 40.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.87 -49.36 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CE2' HG23 ' A' ' 128' ' ' ILE . 26.5 m-85 -85.51 -61.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 7.3 ttmt 87.36 -8.3 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.424 1.077 . . . . 0.0 109.354 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.43 -22.88 19.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.377 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tp -88.2 170.19 11.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.61 142.9 10.47 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 122.12 7.04 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 2.2 p -122.91 165.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -116.74 154.98 29.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' HD12 ' A' ' 39' ' ' LEU . 1.5 p30 -147.52 142.65 27.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -113.32 83.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -107.54 148.07 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.041 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 49' ' ' SER . 10.2 m -86.65 143.71 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 42.5 m-85 -144.48 -65.06 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.6 m-80 -57.57 98.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 45.63 26.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 88.27 55.44 2.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 t -122.82 109.32 14.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.42 ' N ' HG11 ' A' ' 43' ' ' VAL . 16.1 m -42.57 144.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -146.03 136.45 23.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -81.25 72.76 8.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.228 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.4 tt -76.57 133.79 39.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -81.2 107.51 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 4.8 p-10 -109.29 167.14 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.2 152.97 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 t -139.89 178.53 7.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.73 176.2 15.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.573 1.17 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.3 p -121.3 108.56 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 pt -74.97 152.09 86.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.591 1.837 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 t -105.42 110.04 63.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.36 42.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.79 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.445 ' CB ' ' OD1' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -125.31 -147.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -13.56 59.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.439 ' C ' ' ND2' ' A' ' 66' ' ' ASN . . . 179.72 54.21 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.445 ' OD1' ' CB ' ' A' ' 63' ' ' TYR . 0.9 OUTLIER 171.42 174.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.0 m -143.26 108.2 4.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.532 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 1.7 m-85 -87.0 -166.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -128.61 111.35 13.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CD1' ' HB2' ' B' ' 209' ' ' ALA . 0.0 OUTLIER -109.39 130.95 22.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 160.89 39.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.524 1.802 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -145.62 -176.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 53.1 t -166.97 114.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -110.44 150.52 28.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -112.07 68.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 108.052 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 53' ' ' MET . 0.6 OUTLIER -50.73 112.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.11 -171.29 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.571 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 1.6 m-20 -83.42 -58.7 2.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.403 HG23 ' CG ' ' A' ' 16' ' ' LYS . 9.4 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.627 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 113.34 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.583 1.833 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.403 1.739 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 87' ' ' CYS . 3.6 mt -81.45 146.0 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.455 ' HB3' ' CE ' ' A' ' 131' ' ' MET . 37.7 m -110.22 127.06 54.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 108.345 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 2.4 m-85 -139.92 170.56 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 9.9 p -134.86 145.32 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -122.02 78.0 41.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 164.47 33.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.477 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 82.5 p -84.34 -167.86 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.4 m -88.94 -38.56 14.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -17.02 61.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.6 mtt -70.57 179.22 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.3 m -155.04 99.86 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.6 mt -45.86 150.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -116.71 74.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 67.3 p -60.23 139.11 57.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 172.4 -134.45 3.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.561 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -91.04 47.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 16.9 m170 -165.04 -59.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.671 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.6 t -101.36 161.59 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.429 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.7 OUTLIER -105.73 -66.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.364 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 169.88 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.15 -25.39 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.494 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 113.17 0.99 25.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 7.0 ttpt -99.37 131.41 45.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 87' ' ' CYS . 2.7 mp -56.62 133.78 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 110' ' ' TYR . 18.5 t80 -109.99 82.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 110' ' ' TYR . 4.9 mp -157.71 152.97 21.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 47.28 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -46.75 -35.9 6.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -79.17 -43.68 23.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.5 37.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -126.82 -84.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.436 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 25.7 t-105 -69.08 -81.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.49 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 12.1 ttpp 47.34 43.36 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.952 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.95 -45.86 99.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.542 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.952 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.95 -43.92 0.63 Allowed 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.064 -0.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 10.4 tm0? 57.6 -74.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 120' ' ' PRO . 3.6 t -36.96 145.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 126' ' ' GLY . 16.2 m-20 -127.43 169.6 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 123' ' ' ASP . 0.9 OUTLIER -39.61 -46.41 1.79 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.22 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.8 -49.74 69.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -59.73 -30.75 69.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 tt -59.93 -58.2 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.527 HG23 ' CE2' ' A' ' 32' ' ' TYR . 2.5 mt -58.39 -23.7 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -41.68 71.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.39 -41.76 91.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.455 ' CE ' ' HB3' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -67.64 -38.7 84.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 111.024 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 43.2 mt -59.99 -31.38 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.2 t -79.88 -42.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.69 -47.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.696 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 5.5 m-85 -90.62 26.08 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.57 -35.51 0.91 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.71 -70.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.98 166.62 13.11 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.25 3.75 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.696 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.99 -28.99 8.7 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.443 1.76 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 11.9 p -170.45 60.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -57.28 136.19 56.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.0 t -98.38 171.53 8.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -93.11 156.29 40.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.937 -0.447 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 pt-20 -50.85 151.98 3.95 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.477 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.6 Cg_endo -74.92 -89.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.447 1.762 . . . . 0.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.556 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.88 -56.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 87.57 150.74 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.532 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 136.71 20.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.94 176.62 9.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -111.32 168.51 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' B' ' 212' ' ' GLU . 2.0 pp20? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -39.26 -44.67 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -47.43 85.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -71.53 -29.48 64.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 1.7 tp -55.24 -43.09 74.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -60.14 -24.82 65.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -26.29 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.472 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 67.8 mtt -66.88 -15.99 64.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG13 ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.51 -87.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 t 41.92 28.49 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.119 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 12' ' ' VAL . 2.3 ttmt -151.95 -45.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.514 ' CD1' HG13 ' A' ' 12' ' ' VAL . 3.2 m-30 -36.7 132.99 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.167 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 79' ' ' THR . 0.0 OUTLIER -40.29 -54.01 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -108.12 57.59 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -51.46 -47.2 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.84 -56.17 24.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -56.88 -32.08 65.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.21 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.4 m -73.38 -50.76 20.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 43.9 t -60.87 -32.62 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.404 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 2.7 ttm180 -76.64 -30.18 56.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.79 -43.35 25.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 m -65.82 -45.01 83.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' THR . 35.6 m -64.26 -41.5 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' LEU . 3.7 m-20 -51.95 -47.0 64.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.2 t -56.77 -69.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.1 pt -53.82 -20.59 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 7.7 m -84.26 -23.85 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' ASN . 3.8 tp -91.51 -50.45 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -95.74 -56.17 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 76.96 17.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.71 -24.05 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.41 169.53 17.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.361 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.83 115.48 3.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.64 6.16 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -120.65 164.16 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.504 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -115.04 140.64 48.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -127.13 159.06 35.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -141.25 120.88 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.064 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -140.84 149.79 42.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 m -80.36 145.51 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.363 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -149.9 -66.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 47' ' ' GLY . 3.7 m-20 -50.74 97.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t0 43.99 27.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 89.08 51.02 3.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -125.49 128.22 47.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p -40.57 151.92 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.23 149.07 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.24 119.45 35.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.32 136.96 32.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.45 ' SD ' ' CD1' ' A' ' 8' ' ' LEU . 4.6 ttp -88.22 174.23 8.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -171.96 145.87 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -103.37 148.44 25.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 t -157.03 135.26 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.62 -171.84 43.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.3 p -119.44 100.91 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.345 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.7 pt -80.17 147.6 65.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.15 2.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.438 1.757 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 t -91.13 113.07 57.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 156.53 42.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -127.34 -149.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -12.03 59.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.22 35.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -163.7 -177.53 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.0 m -156.28 104.46 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.434 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.3 m-85 -92.27 -165.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.5 122.1 30.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.584 1.177 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -114.45 135.0 22.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.405 ' CB ' ' O ' ' A' ' 90' ' ' LYS . 18.5 Cg_endo -74.97 146.09 32.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.1 mm -135.25 151.86 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.404 ' HB2' ' CG ' ' A' ' 90' ' ' LYS . 21.4 t -160.6 106.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.282 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -138.22 164.54 28.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.576 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 12.3 m95 -99.71 160.77 14.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.185 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -129.45 98.55 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.96 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 79' ' ' THR . 0.5 OUTLIER -92.5 -41.87 10.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 113.33 3.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -14.03 21.34 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.576 ' CG2' ' CD1' ' A' ' 75' ' ' TRP . 3.0 mm -76.32 105.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.8 m -138.81 114.29 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 108.212 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 86' ' ' ILE . 12.3 m-85 -123.93 171.54 9.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 11.9 p -115.93 161.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 5.6 mmmt -125.8 74.33 70.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 174.93 11.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 p -110.01 -160.95 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.132 . . . . 0.0 110.432 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.5 p -96.54 -25.34 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -89.6 -5.03 57.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.956 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.6 mtt -82.6 -174.2 5.06 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.5 m -156.5 105.63 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.85 134.75 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -120.46 102.27 8.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 p -84.21 140.24 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.396 1.06 . . . . 0.0 110.35 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 101' ' ' LYS . . . 175.23 56.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 0.1 OUTLIER 79.75 -50.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -65.08 -36.17 83.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.628 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.19 153.39 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.5 OUTLIER -91.44 -66.89 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 163.92 -31.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -83.35 -7.51 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.414 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 99.84 15.05 32.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -109.61 134.03 52.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.38 138.16 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.412 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 29.2 t80 -113.61 65.74 0.66 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.9 mt -144.04 142.78 20.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.227 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.29 2.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.404 1.739 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -41.4 -49.46 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 tp -69.33 -39.24 78.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.5 37.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.528 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -130.01 -86.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.495 ' CD1' ' HB2' ' A' ' 122' ' ' SER . 36.4 t-105 -71.64 -79.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 107.986 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.538 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.1 pttt 39.54 39.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.954 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -53.52 -45.62 98.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.62 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.954 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.07 -47.53 0.31 Allowed 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.015 0.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.6 tp-100 62.42 -63.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -54.95 158.49 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 126' ' ' GLY . 2.2 p-10 -132.75 174.44 10.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' ASP . 0.5 OUTLIER -40.16 -42.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.378 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -59.36 -52.34 66.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -64.77 -37.1 93.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.6 tt -48.63 -56.36 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.08 -31.86 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -54.97 -45.88 75.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.2 t -62.13 -47.4 93.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 42.2 ttm -60.06 -41.94 93.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.3 mt -58.24 -36.68 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.72 -40.56 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.23 -49.91 76.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 140' ' ' PRO . 2.1 m-30 -88.83 19.44 4.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -113.61 -40.41 1.02 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.424 1.077 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -61.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -104.8 161.15 23.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.25 3.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.567 1.825 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.552 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.97 -23.23 14.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 7.2 p -176.19 63.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 142' ' ' PHE . 2.1 p90 -58.25 139.36 55.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 1.9 t -105.59 176.05 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.455 ' CD ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -83.63 168.78 20.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . 0.455 ' HD2' ' CD ' ' A' ' 144' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -57.37 151.24 39.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.464 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.97 -84.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.538 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.78 -56.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.431 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.98 152.52 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.448 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.93 136.17 20.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 167.81 26.23 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.3 OUTLIER -93.13 148.31 22.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -50.62 -45.56 57.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -63.13 -53.13 58.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.07 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.81 -28.13 67.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' MET . 1.2 tp -63.71 -43.39 96.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HD2' ' CZ ' ' A' ' 18' ' ' ARG . 5.3 ttpp -62.02 -31.04 71.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -84.43 -12.02 55.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.35 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.452 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 7.7 mtm -85.78 -10.21 55.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.18 -98.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.8 m 58.26 16.64 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.046 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -123.26 14.68 9.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -110.29 154.31 23.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -59.45 5.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' THR . 5.2 m-85 -108.56 69.49 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' CZ ' ' HD2' ' A' ' 9' ' ' LYS . 50.6 ttp180 -51.58 -43.42 62.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.199 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -58.01 8.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -57.04 -30.22 64.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' TYR . 44.8 m -71.18 -47.84 55.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.368 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.5 t -69.66 -41.37 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -68.03 -30.46 69.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 20' ' ' LEU . 26.8 tt0 -78.4 -38.07 42.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.9 m -69.56 -48.85 58.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.482 ' O ' ' CB ' ' A' ' 30' ' ' THR . 27.7 m -60.56 -37.81 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -58.18 -42.2 85.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.32 -66.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' LYS . 3.8 pt -55.57 -26.64 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.8 m -68.67 -27.58 66.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tp -89.19 -48.12 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 37.7 m-85 -86.52 -65.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 3.5 ttpp 88.27 9.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -110.46 -22.96 11.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 1.6 mp -73.76 124.21 25.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -110.08 119.33 47.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.226 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 129.21 12.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.95 154.34 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' HB2' ' CE ' ' A' ' 11' ' ' MET . 0.3 OUTLIER -118.38 131.61 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 41' ' ' SER . 13.9 t0 -154.39 148.68 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 7.8 t -117.25 139.99 50.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.7 t80 -135.99 153.66 51.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 m -77.99 139.41 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 26.5 m-85 -144.25 -64.78 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -54.4 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.362 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' PHE . 19.0 t0 50.23 24.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.73 55.52 1.88 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 t -126.49 116.12 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.047 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.5 p -41.88 140.78 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -147.57 136.16 21.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -76.2 117.5 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.342 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -133.44 149.94 51.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.407 ' HG2' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -95.12 158.34 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 4.1 p-10 -162.12 148.88 13.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 mt -115.24 152.5 32.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 56' ' ' THR . 0.7 OUTLIER -160.27 117.33 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 110.499 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.18 -179.74 34.22 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 p -110.2 103.49 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.736 . . . . 0.0 110.365 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.469 ' CG1' ' HD2' ' A' ' 60' ' ' PRO . 2.4 tt -82.83 142.95 45.7 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 59' ' ' ILE . 17.9 Cg_endo -75.13 114.6 4.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.57 112.97 65.88 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.22 42.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -133.88 16.21 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 2.9 ttt85 78.12 53.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.67 -31.69 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -139.69 131.52 27.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.3 m -113.58 101.33 9.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.536 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 6.9 m-85 -76.34 -172.63 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -123.31 114.84 20.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.424 HD11 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -113.39 130.95 23.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' B' ' 207' ' ' PRO . 18.0 Cg_endo -75.09 168.55 24.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.55 160.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.549 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 12.3 t -158.6 118.38 3.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 108.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -138.46 159.22 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -105.81 158.61 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 4.9 tp -123.76 142.64 50.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.41 177.88 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -69.96 -63.71 1.03 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 79' ' ' THR . 1.7 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 113.0 3.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.819 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.61 17.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.6 mm -69.08 91.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 36.4 m -132.15 102.17 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 5.4 p90 -133.25 155.98 48.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 90' ' ' LYS . 13.6 p -90.7 149.86 3.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.418 ' N ' HG21 ' A' ' 89' ' ' VAL . 0.4 OUTLIER -119.78 79.52 23.72 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -172.59 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.7 p -103.38 -145.65 0.37 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -109.5 -42.81 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.79 -7.99 51.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.3 mtt -74.33 -175.7 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 m -148.3 94.66 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.471 HD13 ' CA ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -52.09 156.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.7 102.1 7.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 59.1 p -86.19 145.17 27.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.05 -135.34 3.78 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.41 46.1 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.563 ' CD2' HD13 ' A' ' 111' ' ' LEU . 6.8 m170 -161.78 -44.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.661 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -131.41 155.25 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.368 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.2 OUTLIER -98.64 -68.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 175.94 35.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.37 17.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.471 ' CA ' HD13 ' A' ' 97' ' ' ILE . . . 69.31 4.64 45.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.571 1.169 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 139.7 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.1 mt -79.49 125.46 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 111' ' ' LEU . 79.9 t80 -85.32 -56.59 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 102' ' ' HIS . 11.7 mt -39.64 120.77 1.41 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.98 4.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' A' ' 111' ' ' LEU . 7.6 m-85 -58.85 -31.15 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.9 -35.86 67.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 115' ' ' HIS . 15.2 t-80 -91.56 34.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.571 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.68 -66.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 40.0 t-105 -65.31 -78.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.538 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.6 ptmm? 38.81 39.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.953 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -53.24 -45.71 98.21 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.638 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.953 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.98 -47.82 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.056 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.2 tp-100 62.64 -62.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.6 t -53.68 167.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.047 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -134.09 -179.43 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 76' ' ' LEU . 3.1 tp -59.08 -41.69 88.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.48 -56.48 10.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.17 -48.13 85.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 tt -47.16 -54.05 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.443 HG23 ' CE2' ' A' ' 32' ' ' TYR . 72.9 mt -59.03 -33.17 49.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -58.04 -35.44 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.08 -45.47 83.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 8.8 ttm -59.9 -32.12 70.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 59' ' ' ILE . 1.4 mp -68.89 -41.43 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.4 t -72.14 -32.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 25.1 t -72.86 -46.32 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.412 ' CG ' ' HG3' ' A' ' 140' ' ' PRO . 3.7 m-30 -76.82 -3.62 39.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -96.42 -29.54 8.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.115 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.88 -41.84 28.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.32 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 146.91 54.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 110.287 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 113.12 3.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.412 ' HG3' ' CG ' ' A' ' 135' ' ' PHE . 18.2 Cg_endo -75.04 -23.31 13.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 13.8 p -174.7 63.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -65.28 126.78 29.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.5 t -84.95 164.14 18.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 59.72 114.83 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.097 -0.386 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -64.18 149.59 93.92 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.473 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.7 Cg_endo -74.92 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.401 1.738 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.525 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 76.81 -54.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.37 149.93 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.521 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 142.25 27.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.446 1.761 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.536 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 -170.39 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.79 152.83 37.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -38.77 -31.23 0.06 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -61.79 -55.41 30.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -66.07 -37.13 85.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.3 OUTLIER -55.96 -57.57 11.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -26.72 2.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -81.79 -32.63 31.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -73.47 -11.27 60.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -114.89 -93.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 1.4 t 85.68 -57.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.057 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -125.2 69.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 53' ' ' MET . 5.2 t80 -155.82 120.11 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' CA ' ' O ' ' A' ' 78' ' ' ASP . 14.6 tttt 42.77 32.65 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 20' ' ' LEU . 43.9 m-85 55.1 85.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.49 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 2.3 ptt180 -42.31 -31.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -68.31 -47.03 68.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' TYR . 2.3 mm? -73.42 -31.86 64.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.3 m -74.92 -59.23 2.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 18' ' ' ARG . 78.6 t -51.24 -35.42 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -71.85 -36.07 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.62 -40.1 43.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -64.51 -52.36 58.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 30' ' ' THR . 29.2 m -58.04 -43.8 85.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -58.18 -41.26 83.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.79 -66.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' LYS . 18.2 pt -55.53 -26.54 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.8 m -70.67 -25.97 63.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 tp -87.96 -48.27 7.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.453 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 12.8 m-85 -93.42 -61.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 83.9 5.79 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.27 -21.5 13.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.65 153.07 29.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -129.87 123.07 20.79 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.37 5.62 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 1.5 p -119.02 163.95 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.462 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -132.42 179.1 6.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' OD1' ' CH2' ' A' ' 75' ' ' TRP . 16.4 p-10 -179.08 150.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.21 105.93 12.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -118.73 149.26 41.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -78.74 140.58 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -146.07 -59.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' GLY . 36.6 m-20 -55.7 94.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 t70 43.03 28.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.16 63.8 1.25 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.533 1.145 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.37 116.87 10.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 109.977 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 p -40.32 138.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.936 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -143.78 135.54 26.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 2.1 mp0 -76.3 108.47 9.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 tt -118.06 140.09 50.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.578 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . 4.3 mtp -102.01 138.7 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.573 ' HB3' ' CE3' ' A' ' 75' ' ' TRP . 6.9 p-10 -132.79 162.74 30.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -119.32 152.96 35.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -160.37 166.49 29.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 110.368 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 134.78 -178.92 18.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.572 1.17 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 p -114.49 120.46 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 0.804 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 60' ' ' PRO . 79.8 mt -89.13 142.53 30.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.07 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.39 115.1 56.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.02 42.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -130.57 -148.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 53.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.25 13.61 7.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -147.31 175.77 10.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 0.795 . . . . 0.0 109.253 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.8 m -156.49 107.45 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.449 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.532 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 6.3 m-85 -95.46 -174.93 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -118.0 122.12 42.4 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.581 1.176 . . . . 0.0 109.22 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.47 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -116.34 127.74 26.53 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.516 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 18.3 Cg_endo -74.96 154.68 42.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 71' ' ' PRO . 12.7 mt -157.46 147.62 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 7.1 t -128.43 131.84 48.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD1' ' SG ' ' A' ' 87' ' ' CYS . 4.1 mm? -125.59 131.96 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' A' ' 54' ' ' ASN . 19.5 m95 -102.88 97.64 7.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mp -72.9 134.62 44.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.557 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -80.39 -165.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -99.64 -43.28 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.404 ' HD2' ' CD1' ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.98 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.11 6.57 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.9 mt -82.33 106.93 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 17.3 m -140.2 110.71 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.283 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 3.0 p90 -141.38 174.38 10.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.6 p -105.7 149.1 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' CG ' ' HB2' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -117.56 80.22 13.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.29 14.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.482 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 77.1 p -90.75 -135.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.3 -43.35 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -10.73 60.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.6 mtt -69.09 -178.28 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.1 m -145.45 105.06 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.27 144.78 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.224 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.32 89.02 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.3 p -65.52 144.02 57.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 174.46 -138.65 4.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -92.39 39.91 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.77 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -151.67 -46.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.9 t -117.62 168.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -108.93 -63.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 177.38 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -87.48 11.1 15.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 5.88 89.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -77.93 129.12 34.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.761 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.6 mt -57.52 130.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -93.33 49.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.0 mt -147.14 156.74 46.73 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.3 Cg_endo -75.06 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.581 1.832 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.468 ' CZ ' HG11 ' A' ' 130' ' ' VAL . 1.1 m-85 60.72 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -61.81 -30.87 71.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -98.33 26.1 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.613 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.7 -70.96 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.486 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 37.3 t-105 -70.68 -79.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.507 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 17.8 ptmt 43.11 42.7 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.954 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -53.97 -46.01 98.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.599 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.954 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.94 -47.13 0.32 Allowed 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.042 -0.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 59.86 -68.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -48.32 160.3 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.052 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 126' ' ' GLY . 7.3 m-20 -133.57 166.65 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.8 tp -43.11 -31.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.09 -50.22 56.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -65.87 -47.45 74.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' A' ' 127' ' ' LEU . 4.3 tt -44.15 -51.34 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 64.9 mt -71.62 -27.74 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 126' ' ' GLY . 13.5 tt0 -67.23 -46.63 73.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.468 HG11 ' CZ ' ' A' ' 113' ' ' TYR . 17.2 t -59.9 -45.8 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.3 ttm -63.24 -41.22 99.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 36.9 mt -59.49 -27.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 73.3 t -79.44 -32.01 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.22 -35.15 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.3 m-85 -101.89 18.83 19.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -114.42 -28.69 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.27 -63.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -97.25 162.09 23.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 18.4 Cg_endo -75.02 -25.8 11.49 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.3 p -174.97 60.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -57.58 134.62 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 208' ' ' THR . 0.7 OUTLIER -91.46 170.24 10.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -131.24 98.91 18.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.43 1.753 . . . . 0.0 110.958 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . 0.458 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.8 pt-20 -48.52 148.89 3.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.482 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.95 -89.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.427 1.751 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 78.78 -53.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.96 149.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.344 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.532 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.03 139.2 23.94 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.446 1.761 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.02 -169.43 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.14 161.2 27.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' SER . 18.1 tt0 -38.31 -45.27 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -51.07 71.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -66.1 -37.92 86.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 11' ' ' MET . 1.3 tp -58.9 -58.42 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -50.17 -32.59 16.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -81.83 -28.13 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.231 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' LEU . 24.6 mtp -76.6 -0.88 24.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -137.42 -93.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.8 t 50.58 24.22 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -131.62 -47.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.211 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 3.3 m-85 -37.49 144.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -55.06 -47.06 75.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.068 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -113.71 51.21 0.87 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.11 -42.81 14.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.84 -57.69 9.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.13 -34.79 66.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.6 m -71.78 -49.67 36.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.3 t -59.77 -45.38 94.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.26 -35.78 76.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -33.94 65.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.0 m -74.48 -52.02 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.358 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' ' CB ' ' A' ' 30' ' ' THR . 34.9 m -59.05 -42.35 86.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -56.05 -45.47 79.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' LEU . 40.8 t -57.71 -67.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.402 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 3.4 pt -52.89 -23.63 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.9 m -78.3 -27.73 47.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.457 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' A' ' 32' ' ' TYR . 1.5 tp -84.67 -46.68 11.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.55 ' CE1' HD22 ' A' ' 31' ' ' LEU . 32.1 m-85 -103.34 -62.56 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 2.4 ttpp 87.14 7.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.46 -13.61 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.15 150.86 27.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.01 112.39 18.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.41 6.05 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -121.16 160.65 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -121.76 121.14 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -126.65 155.35 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 11.9 t -140.81 124.19 16.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.5 t80 -129.78 165.25 22.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.503 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 8.8 m -84.72 139.96 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 23.9 m-85 -142.7 -63.76 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.37 96.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 45.35 27.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.6 52.4 2.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.588 1.18 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.34 114.91 21.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 0.741 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.9 p -45.85 133.68 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.13 140.42 37.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.57 120.44 23.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 1.5 mt -134.85 118.96 17.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -74.78 153.69 38.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.408 ' ND2' HG11 ' A' ' 38' ' ' VAL . 7.2 p-10 -154.11 156.1 36.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.4 144.42 50.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -151.59 137.05 17.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.462 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 174.79 178.57 44.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.555 1.159 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.3 p -110.42 101.64 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 110.336 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.459 HD12 ' CG1' ' A' ' 132' ' ' ILE . 15.6 pt -76.41 148.68 80.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.5 2.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 t -100.99 112.6 65.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 153.5 41.47 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.424 1.75 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -130.04 16.03 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 80.02 60.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.349 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 131.93 -27.72 3.62 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -139.89 140.65 36.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.3 m -121.6 108.7 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.539 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.6 m-85 -85.95 -166.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.01 107.19 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -105.16 127.96 27.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -74.97 153.79 42.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 111.075 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.7 mt -151.68 137.45 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 t -133.46 133.46 42.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -151.28 154.3 36.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -106.79 146.26 31.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.456 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 3.5 tp -114.4 130.12 56.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.07 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.37 -167.55 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.569 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 1.5 p-10 -80.15 -61.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.79 16.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.423 1.749 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.9 mm -95.62 104.0 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 53.5 m -143.03 115.35 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.44 ' CB ' ' HA ' ' A' ' 108' ' ' LYS . 9.9 p90 -158.25 147.33 19.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.16 140.92 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 4.4 ttmt -118.01 79.7 14.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.29 4.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.537 1.809 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.0 p -97.04 -140.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.9 -37.29 3.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.051 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -77.04 -0.8 25.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.0 mtt -78.42 -167.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.3 m -153.78 83.86 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.423 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -54.72 143.32 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -124.08 115.37 21.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.214 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 4.8 p -79.24 148.04 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.37 -149.38 7.3 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.517 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 8.0 mtmt -91.94 38.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 0.811 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 40.1 m170 -144.33 -49.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.2 t -114.15 163.58 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.483 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.4 OUTLIER -95.1 -59.81 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.072 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 170.35 -35.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.63 5.95 25.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.97 11.3 79.26 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.44 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -74.98 119.04 18.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.568 HG13 ' CZ ' ' A' ' 135' ' ' PHE . 0.4 OUTLIER -64.67 125.9 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.61 122.14 17.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.461 HD12 ' CG1' ' A' ' 134' ' ' VAL . 0.2 OUTLIER -165.94 150.24 7.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 42.25 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.57 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.3 p90 -108.05 -41.74 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.066 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.57 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 4.7 tt -54.34 -51.74 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -92.81 42.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.665 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.27 -76.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 38.2 t-105 -57.93 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 107.996 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.54 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 37.58 39.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.932 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -52.45 -45.71 95.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.666 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.932 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.95 -47.09 0.32 Allowed 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.987 -0.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 7.2 tp-100 62.78 -64.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 120' ' ' PRO . 8.6 t -41.71 155.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -128.52 167.76 16.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.3 tp -43.89 -36.97 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.25 -59.28 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.31 -36.78 77.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.52 -63.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.457 ' HA ' ' CG ' ' A' ' 131' ' ' MET . 66.6 mt -58.76 -17.0 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -80.62 -41.37 24.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -49.99 81.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 128' ' ' ILE . 9.8 ptp -64.06 -33.77 76.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.459 ' CG1' HD12 ' A' ' 59' ' ' ILE . 8.3 mt -64.45 -28.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.71 -36.57 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.461 ' CG1' HD12 ' A' ' 111' ' ' LEU . 70.5 t -75.61 -49.77 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 4.6 m-85 -87.81 17.52 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -109.95 -30.14 3.55 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.64 -64.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.46 158.28 43.39 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.072 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.08 3.71 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.576 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.5 Cg_endo -74.99 -28.57 9.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.568 1.825 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 97' ' ' ILE . 6.9 p -171.33 60.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.482 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 13.9 p90 -60.2 125.34 23.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' B' ' 208' ' ' THR . 1.2 t -83.44 173.03 11.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.4 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -95.52 167.0 13.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.557 1.819 . . . . 0.0 110.972 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.825 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -62.96 148.75 91.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.475 ' CB ' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.02 -83.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.91 -54.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.467 1.104 . . . . 0.0 110.351 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.74 150.67 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.539 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 137.8 22.35 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.07 -170.93 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.3 OUTLIER -98.31 -145.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' SER . 1.1 pt-20 -35.68 -36.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -62.02 -57.94 9.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.16 . . . . 0.0 110.043 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.5 OUTLIER -72.32 -27.1 62.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.188 . . . . 0.0 110.281 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -62.14 -30.46 71.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -72.64 -33.72 66.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -85.47 -9.82 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 8' ' ' LEU . 26.4 mtm -84.42 -30.79 25.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG2' ' H ' ' A' ' 13' ' ' SER . 2.1 m -86.32 -101.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.157 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.439 ' H ' ' CG2' ' A' ' 12' ' ' VAL . 1.3 p 52.92 22.42 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.41 25.88 7.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CD2' HG23 ' A' ' 21' ' ' THR . 17.1 m-85 -120.76 148.28 44.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 17' ' ' TYR . 1.3 tptt -42.89 -42.97 3.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.478 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 4.9 m-85 -135.99 81.4 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -54.25 -42.57 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -55.4 35.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.43 -36.61 84.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.575 HG23 ' CD2' ' A' ' 15' ' ' TYR . 70.2 m -64.09 -48.43 76.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 2.8 t -67.22 -39.21 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 13.1 ttt85 -64.15 -32.57 74.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.78 -39.24 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.4 m -69.75 -48.14 60.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.436 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 22' ' ' VAL . 25.5 m -63.93 -37.13 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -59.48 -41.18 89.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 t -59.15 -68.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' LYS . 46.6 pt -53.63 -27.2 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.2 m -72.25 -26.03 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.385 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.53 -47.0 9.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.463 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 42.1 m-85 -95.09 -63.69 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 16.0 ttmt 85.25 12.95 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.79 -23.92 11.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.59 142.48 35.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -119.02 119.03 32.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 129.38 12.23 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.17 144.32 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.96 127.45 44.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.56 156.89 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.1 t -147.44 118.25 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -138.09 155.49 48.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 m -81.88 149.73 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -154.3 -64.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -55.25 93.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 48.31 26.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.22 41.16 5.6 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.5 1.125 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 t -112.8 124.95 53.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 0.793 . . . . 0.0 109.992 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.6 p -42.42 145.46 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -138.0 137.31 37.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.9 100.33 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.51 135.13 54.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -100.12 142.64 31.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -139.11 156.06 47.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.7 154.04 37.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.364 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -166.6 135.75 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.461 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.25 -162.68 25.66 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 p -120.23 99.8 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 0.803 . . . . 0.0 110.338 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.453 ' CG2' ' HD2' ' A' ' 60' ' ' PRO . 39.9 mt -77.47 140.76 64.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.06 112.29 3.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.54 112.04 65.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.31 42.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 16.66 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.597 1.186 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.1 62.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.19 -30.72 3.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.33 130.37 26.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.4 m -113.72 106.28 14.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.4 m-85 -86.82 -166.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.2 OUTLIER -131.27 124.61 30.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.428 HD11 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -113.52 141.73 26.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.444 ' CB ' ' O ' ' A' ' 90' ' ' LYS . 18.2 Cg_endo -75.03 145.87 31.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.4 mm -141.1 151.67 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 88' ' ' PHE . 10.6 t -159.71 137.25 9.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.343 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -159.6 165.25 33.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.569 ' CD1' HG22 ' A' ' 86' ' ' ILE . 29.5 m95 -108.91 146.91 33.0 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.455 ' CD1' HD13 ' A' ' 124' ' ' LEU . 7.2 tp -112.61 112.14 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.55 -164.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.454 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -86.33 -61.79 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.444 ' O ' ' OG1' ' A' ' 79' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.393 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -4.61 15.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.569 HG22 ' CD1' ' A' ' 75' ' ' TRP . 4.5 mm -87.46 112.7 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.1 m -147.96 117.04 6.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 108.341 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.428 ' CZ ' HG21 ' A' ' 86' ' ' ILE . 9.8 m-85 -126.92 -174.58 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.049 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 11.5 p -130.51 156.22 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 44.9 mmtt -122.54 77.14 46.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 162.05 37.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.8 p -89.85 -172.18 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -23.66 22.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.54 -17.77 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.7 mtt -64.06 169.78 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 92.7 m -139.06 86.54 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.41 ' N ' HG22 ' A' ' 141' ' ' VAL . 1.8 mt -42.8 146.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -120.61 99.08 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 20.4 p -64.59 139.17 58.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.09 -148.06 4.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.21 -7.86 52.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.498 ' CE1' ' HG ' ' A' ' 111' ' ' LEU . 3.0 m-70 -105.57 -65.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.384 1.052 . . . . 0.0 109.594 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 t -78.65 162.62 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.493 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.3 OUTLIER -108.95 -65.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 169.85 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -21.59 61.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.41 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 105.73 6.14 38.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.571 1.169 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.85 124.86 48.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.8 mt -67.24 149.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -112.07 -33.71 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.498 ' HG ' ' CE1' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -44.09 122.51 4.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 115' ' ' HIS . 18.1 Cg_endo -75.05 58.52 4.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -44.15 -25.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.403 ' N ' ' C ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -79.74 -44.28 21.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER -97.0 39.79 1.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.605 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.09 -75.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 110.275 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.474 ' CH2' ' CE1' ' A' ' 119' ' ' HIS . 26.9 t-105 -74.29 -80.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.01 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.523 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER 44.03 41.91 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.937 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.1 -45.79 98.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.565 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.937 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.04 -47.82 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.998 0.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 2.0 tm0? 60.47 -68.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -49.84 161.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 127' ' ' LEU . 2.0 m-20 -134.13 172.53 12.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 76' ' ' LEU . 13.5 tp -44.12 -43.68 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.28 -46.68 76.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.45 -27.87 72.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.095 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 123' ' ' ASP . 5.2 tt -62.08 -60.38 3.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.2 mt -59.22 -27.92 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -40.66 90.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.0 t -60.21 -48.13 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.0 ttm -61.46 -36.7 81.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.2 mt -62.89 -30.3 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.4 t -72.59 -37.65 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.401 HG11 ' ND1' ' A' ' 102' ' ' HIS . 20.0 t -78.38 -43.92 26.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.447 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 5.4 m-85 -87.85 17.06 5.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.0 -38.25 1.06 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -65.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.93 160.49 29.04 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.447 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.2 Cg_endo -75.03 -25.63 11.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 97' ' ' ILE . 7.5 p -174.44 58.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 142' ' ' PHE . 24.7 p90 -57.58 124.99 20.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 5.1 t -91.37 178.16 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.949 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.452 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.4 OUTLIER -89.59 152.71 47.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 111.071 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.7 pt-20 -58.85 152.48 48.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.475 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -75.07 -84.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.547 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.19 -55.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.443 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.86 148.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.564 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 135.4 19.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 168.28 25.18 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.443 1.759 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -86.32 155.4 20.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' SER . 6.2 pt-20 -37.43 -33.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.33 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER -65.34 -56.01 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -64.95 -21.93 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.04 -58.26 9.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -28.06 46.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 -20.65 29.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 10.2 mtp -81.64 -29.28 33.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.403 ' CG2' ' H ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -86.52 -98.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.403 ' H ' ' CG2' ' A' ' 12' ' ' VAL . 0.4 OUTLIER 51.96 21.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -118.04 -41.61 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.238 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 3.3 m-85 -52.69 145.73 11.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 3.2 tttp -49.09 -56.76 8.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.421 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 m-85 -112.54 67.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 10.4 ttp-105 -48.89 -46.19 42.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 3.9 p-10 -55.61 -50.49 70.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HB2' ' CB ' ' A' ' 17' ' ' TYR . 8.7 mp -62.45 -35.05 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.579 HG23 ' CD2' ' A' ' 15' ' ' TYR . 19.7 m -66.13 -55.85 14.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.403 1.064 . . . . 0.0 110.419 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 13.8 t -52.27 -45.94 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -42.95 96.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -30.15 64.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 21' ' ' THR . 29.4 m -74.85 -52.54 11.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 30' ' ' THR . 16.3 m -62.97 -35.19 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -59.24 -47.69 84.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 t -55.37 -67.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' LYS . 20.7 pt -53.28 -27.84 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.1 m -72.32 -20.22 61.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tp -91.25 -47.88 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CE2' HG23 ' A' ' 128' ' ' ILE . 25.1 m-85 -90.27 -60.24 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 4.1 ttpp 85.98 5.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -111.04 -23.31 11.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tp -75.84 131.12 39.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -112.98 124.57 31.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HA ' ' CD2' ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.9 125.54 9.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -116.95 157.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.463 ' HB2' ' CE ' ' A' ' 11' ' ' MET . 0.4 OUTLIER -112.64 140.66 47.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -141.1 158.71 43.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.07 133.12 27.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -149.82 152.23 34.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.469 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 16.3 m -81.91 146.71 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 20.7 m-85 -150.06 -63.77 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 47' ' ' GLY . 6.8 t30 -50.66 94.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' PHE . 14.4 t70 44.67 27.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.71 50.45 2.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -124.93 124.61 42.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.83 146.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.45 139.8 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.79 102.31 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 5.2 tt -116.3 129.49 56.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.418 ' HG2' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.6 141.41 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 5.6 p-10 -135.63 165.49 25.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' A' ' 37' ' ' PRO . 77.7 mt -120.59 158.22 27.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 t -170.53 126.95 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.62 -176.71 43.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.614 1.196 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.8 p -111.03 99.34 8.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 0.721 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.1 pt -74.0 142.97 80.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.15 107.94 2.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 110.942 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -94.37 123.66 57.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 150.16 37.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 66' ' ' ASN . 2.0 t80 -122.19 -148.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -95.24 7.21 46.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.245 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . 169.94 46.49 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 4.3 p30 159.46 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 0.721 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -135.43 120.54 18.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.2 m-85 -89.35 -168.24 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.7 OUTLIER -127.43 108.32 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -107.58 128.65 25.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -75.06 164.12 33.87 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -163.15 167.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.224 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.495 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 6.4 t -161.76 145.79 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -163.99 156.56 17.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.573 ' CD1' HG21 ' A' ' 86' ' ' ILE . 13.7 m95 -100.78 154.18 18.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.437 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -114.51 151.8 32.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.596 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.8 OUTLIER -95.63 -170.77 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.33 20.01 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.99 150.77 38.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.411 1.743 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 56.08 4.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.573 HG21 ' CD1' ' A' ' 75' ' ' TRP . 14.3 mm -129.79 86.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.7 m -130.29 101.54 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 108.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 8.3 p90 -135.88 163.0 31.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -90.17 163.18 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -125.27 74.43 67.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.32 43.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.5 p -83.03 -155.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.2 p -100.33 -39.5 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -9.97 59.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.1 mtt -69.82 -175.37 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 88.1 m -156.76 108.23 2.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.485 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.1 tt -76.57 136.03 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.37 120.85 43.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.58 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 21.7 p -73.12 140.05 46.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.348 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.68 -156.81 9.87 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 2.8 mtmt -88.21 49.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 12.0 m80 -165.2 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.0 t -126.87 137.37 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.58 ' O ' ' CG2' ' A' ' 99' ' ' THR . 2.1 t0 -81.55 -66.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 166.27 40.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -134.19 -34.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 118.63 -6.15 14.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.16 134.07 34.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 0.798 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.6 mt -75.55 130.43 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -86.11 -49.02 8.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.542 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 2.1 mm? -40.82 113.75 1.05 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.261 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 56.66 4.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 38.2 m-85 -58.77 -29.84 67.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.0 tt -73.07 -39.84 65.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -93.56 32.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -123.09 -73.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.3 t-105 -62.53 -80.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.539 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 14.0 tttp 45.87 43.18 9.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.953 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.51 -45.64 98.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.584 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.953 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 -45.6 0.44 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.997 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.0 tm0? 59.99 -70.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.591 ' N ' ' O ' ' A' ' 120' ' ' PRO . 3.4 t -40.17 159.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -125.36 175.2 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -47.52 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.88 -44.39 78.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.17 -34.94 87.67 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.2 tt -54.36 -59.46 4.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.794 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 32' ' ' TYR . 3.1 mp -63.59 -22.54 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.93 -42.43 76.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.2 -45.63 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.26 -40.15 95.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.0 mt -59.19 -31.79 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.4 t -78.14 -47.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.74 -47.89 89.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -90.03 26.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.65 -5.66 10.95 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.47 1.106 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.73 -61.57 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -101.05 157.86 32.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -26.99 10.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 13.4 p -171.65 62.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.577 1.173 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -58.73 133.68 56.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.8 t -96.43 175.07 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.432 ' N ' ' OG ' ' A' ' 143' ' ' SER . 3.4 mmt180 -81.88 160.45 63.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 pt-20 -52.05 150.98 7.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.596 1.185 . . . . 0.0 110.362 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.469 ' CB ' ' HG3' ' A' ' 71' ' ' PRO . 18.2 Cg_endo -74.98 -85.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.413 1.744 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.91 -55.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 87.24 149.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 138.63 23.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.94 177.3 8.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.443 1.76 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -98.47 158.48 15.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.8 pt-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -44.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.45 -48.03 83.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -71.12 -32.21 68.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -38.12 65.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -27.78 69.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -84.26 -19.0 34.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.433 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 63.5 mtt -76.12 0.58 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 HG12 ' CG ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -134.28 -92.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' VAL . 23.1 t 38.45 30.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' VAL . 9.1 mttp -152.46 -45.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.564 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 3.6 m-30 -37.27 146.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -45.79 -44.43 14.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 9.8 m-85 -132.84 76.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -52.07 -40.39 61.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.28 -57.98 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 17' ' ' TYR . 10.9 mp -53.89 -37.49 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.511 HG23 ' CD2' ' A' ' 15' ' ' TYR . 65.4 m -68.09 -52.7 32.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 t -61.31 -46.69 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.31 -31.89 70.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -43.32 32.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -67.26 -44.53 79.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.452 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 30' ' ' THR . 19.6 m -66.8 -40.73 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' HB3' ' CD1' ' A' ' 125' ' ' LEU . 10.9 m-20 -55.43 -45.22 76.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.61 -68.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.438 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 26.2 pt -53.41 -21.01 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.3 m -79.96 -30.88 39.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 32' ' ' TYR . 2.4 tp -81.71 -52.23 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.501 ' CE1' HD23 ' A' ' 31' ' ' LEU . 51.0 m-85 -99.9 -58.48 1.91 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' CA ' ' O ' ' A' ' 29' ' ' ILE . 4.0 ttpp 81.39 20.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 -23.82 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.591 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 3.0 mm? -79.26 178.75 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -159.68 119.39 1.68 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.58 11.61 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.44 156.76 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 0.4 OUTLIER -105.01 122.19 45.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -124.27 155.48 38.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.426 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 6.4 t -139.67 121.16 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.4 t80 -152.38 156.53 39.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.0 m -80.95 141.61 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.5 m-85 -143.74 -58.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -57.16 88.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PHE . 12.1 t70 50.23 23.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.72 57.78 1.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.31 108.83 9.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 m -39.02 132.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' TYR . 2.1 ttm-85 -132.01 136.16 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -106.48 130.33 54.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.248 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.538 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -165.39 154.59 12.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.426 ' O ' ' CB ' ' A' ' 76' ' ' LEU . 37.5 ttp -83.12 128.36 34.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 55' ' ' LEU . 6.7 t30 -109.56 154.42 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.179 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 4.3 mm? -104.32 136.37 44.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.55 137.39 22.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.401 1.063 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.46 -167.8 38.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.571 1.169 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 p -131.28 106.75 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 110.43 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.591 ' CG2' ' CD2' ' A' ' 35' ' ' LEU . 19.3 pt -83.74 148.28 54.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.05 3.7 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.401 1.737 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.52 107.43 60.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.413 ' N ' HG23 ' A' ' 67' ' ' THR . 18.6 Cg_endo -74.93 157.03 43.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.758 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.455 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -135.42 15.11 3.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 3.4 ttt180 81.45 59.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.68 -27.55 3.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -143.59 136.77 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 62' ' ' PRO . 92.4 m -122.13 109.05 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.521 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.7 m-85 -85.14 -167.93 2.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.92 117.94 25.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.07 139.68 22.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.412 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 18.4 Cg_endo -74.96 148.15 35.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.393 1.733 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.2 mm -133.18 137.27 53.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 3.6 t -131.86 118.33 19.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.265 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -131.18 124.71 31.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.438 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 54.0 m95 -91.11 84.67 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.426 ' CB ' ' O ' ' A' ' 53' ' ' MET . 1.5 tp -61.56 94.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.564 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 2.2 mm? -68.25 -170.98 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -102.81 -29.7 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.373 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.599 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.02 112.69 3.62 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.438 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.1 Cg_endo -75.07 -173.52 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.2 mt -67.79 114.96 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.47 ' SG ' ' CD2' ' A' ' 127' ' ' LEU . 74.4 m -102.78 112.29 25.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.597 ' CZ ' ' SG ' ' A' ' 73' ' ' CYS . 3.6 p90 -159.51 142.17 13.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 7.5 p -83.77 143.38 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -117.23 84.1 16.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 109.322 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 177.2 8.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.8 p -91.26 -159.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.374 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.0 m -99.86 -30.77 11.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.47 4.35 24.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 0.0 OUTLIER -98.16 -168.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 93.7 m -152.77 112.47 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.5 tt -81.51 149.59 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.42 113.2 25.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.5 p -99.92 139.39 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 110.409 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.96 -126.74 1.11 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -93.32 25.46 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -135.7 -63.85 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.586 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.6 t -105.16 174.32 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -114.6 -54.88 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 172.15 -41.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.84 -5.01 57.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.61 -13.64 61.0 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.585 1.178 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 10.1 tptp -60.39 131.31 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 25.7 mt -75.2 153.33 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 110' ' ' TYR . 8.5 t80 -144.54 67.94 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -125.94 152.08 72.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 53.9 3.48 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 114' ' ' LEU . 4.9 p90 -108.88 -36.92 5.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 113' ' ' TYR . 0.6 OUTLIER -67.35 -39.06 85.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.98 34.51 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.551 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.48 -78.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.234 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 119' ' ' HIS . 4.0 t90 -49.5 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.523 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 6.2 ttmt 39.63 44.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.94 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -55.14 -45.34 99.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.598 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.94 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.12 -44.36 0.57 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.962 -2.516 . . . . 0.0 110.993 0.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.477 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 21.4 tp60 58.9 -68.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 120' ' ' PRO . 7.7 t -38.95 157.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -132.07 176.8 8.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.379 1.049 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -41.64 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 27' ' ' ASN . 9.3 mp -59.46 -36.7 76.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -70.36 -56.32 7.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.438 1.086 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.47 ' CD2' ' SG ' ' A' ' 87' ' ' CYS . 4.3 tt -41.27 -56.3 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.97 -39.73 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 126' ' ' GLY . 5.9 tt0 -60.22 -44.92 94.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.6 t -62.56 -35.23 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 49.3 ttm -73.85 -42.26 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 32.1 mt -59.58 -26.85 35.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 53.7 t -78.65 -48.7 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.35 -41.19 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.532 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 7.2 m-85 -92.09 17.22 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.73 -16.15 7.07 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.428 1.08 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -101.8 -64.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 0.2 OUTLIER -91.86 156.85 42.23 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.822 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.532 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.97 -27.53 9.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 6.3 p -171.39 59.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 142' ' ' PHE . 19.2 p90 -58.79 127.34 31.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 1.2 t -89.68 175.58 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 143' ' ' SER . 13.6 mmt85 -122.28 159.81 50.63 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.448 1.762 . . . . 0.0 110.996 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -46.31 151.12 1.01 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.471 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.97 -80.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.534 1.807 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 73.95 -57.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.435 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.09 151.64 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.521 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.95 142.4 27.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.02 170.86 19.48 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.551 1.816 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.27 172.57 8.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -42.72 -45.55 4.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -58.92 -40.4 84.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -76.68 -37.77 55.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -50.64 72.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.457 ' CG ' ' HD2' ' A' ' 18' ' ' ARG . 1.3 ttpt -60.78 -33.36 72.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -81.98 -13.06 57.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.419 1.074 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' GLN . 16.1 mtm -91.68 9.54 31.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.551 HG13 ' CE1' ' A' ' 15' ' ' TYR . 0.5 OUTLIER -141.64 -99.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER 69.97 -59.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.918 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -46.32 -26.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.551 ' CE1' HG13 ' A' ' 12' ' ' VAL . 1.7 m-85 -48.03 125.56 9.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.39 1.056 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -39.93 -40.67 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.499 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 64.3 m-85 -131.31 66.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.457 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 4.4 ttp180 -51.39 -54.81 22.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -56.03 -58.23 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.358 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -51.89 -38.98 58.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.409 HG22 ' CD2' ' A' ' 15' ' ' TYR . 98.9 m -68.7 -59.15 3.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.434 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.448 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 25.3 t -53.9 -41.62 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 35.1 ttp180 -65.81 -32.5 74.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -43.25 31.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -64.55 -48.81 73.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' THR . 36.0 m -62.87 -37.52 79.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 10.3 m-20 -55.41 -45.41 76.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.2 t -58.14 -66.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.417 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 25.2 pt -55.17 -26.21 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.5 m -75.27 -20.06 59.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -93.64 -48.06 6.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -96.74 -57.09 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' CA ' ' O ' ' A' ' 29' ' ' ILE . 2.0 ttpt 78.84 20.41 0.78 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -110.07 -23.54 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.222 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.562 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 2.9 mm? -75.96 179.83 5.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.94 119.49 2.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 122.42 7.14 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.501 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -124.88 164.15 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.225 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.501 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -112.73 155.25 24.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 39' ' ' LEU . 2.9 p30 -148.48 145.08 27.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -121.86 119.08 30.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -133.62 150.97 51.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.3 m -89.37 147.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 48.0 m-85 -150.34 -63.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -52.4 95.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 45.03 27.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 89.75 52.06 2.72 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -125.34 121.19 33.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.9 p -39.08 153.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' TYR . 1.1 ttm180 -147.91 139.05 23.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.13 105.05 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.62 133.37 47.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.503 ' SD ' ' CD2' ' A' ' 76' ' ' LEU . 2.1 ppp? -91.52 174.9 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 6.8 p-10 -168.48 160.02 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mt -114.17 153.45 29.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 t -164.46 141.73 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.78 -165.61 38.04 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -126.41 105.96 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.562 ' CG2' ' CD2' ' A' ' 35' ' ' LEU . 38.7 pt -88.35 149.38 44.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -105.31 106.51 56.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.09 36.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -120.49 18.25 12.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.15 . . . . 0.0 111.056 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER 84.09 2.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.237 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.36 -45.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -125.46 141.56 51.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.233 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 m -110.51 103.39 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.49 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.8 m-85 -86.96 -165.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -132.98 118.24 18.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.336 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -110.15 136.04 20.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 18.5 Cg_endo -75.0 150.66 38.5 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.546 1.814 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mm -138.48 152.87 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 90' ' ' LYS . 22.5 t -163.11 109.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -132.52 165.63 23.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.579 ' CD1' HG22 ' A' ' 86' ' ' ILE . 48.7 m95 -98.76 154.6 17.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.503 ' CD2' ' SD ' ' A' ' 53' ' ' MET . 1.9 tp -125.85 110.24 13.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.486 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 8.4 mt -55.99 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.498 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -143.36 31.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.8 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 127' ' ' LEU . 2.4 t-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 112.83 3.65 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.812 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 18.1 Cg_endo -75.04 50.88 2.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.664 ' CG2' ' CE2' ' A' ' 88' ' ' PHE . 17.0 mm -144.96 107.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -129.18 128.03 42.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 108.271 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.664 ' CE2' ' CG2' ' A' ' 86' ' ' ILE . 30.4 m-85 -137.69 169.46 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 8.0 p -117.03 167.09 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 71' ' ' PRO . 12.8 mmtm -126.58 72.11 73.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.69 38.31 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.451 1.764 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.8 p -103.85 -173.48 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -83.08 -37.86 23.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -6.87 54.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.49 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.3 mtt -80.82 -173.95 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.8 m -153.0 104.8 2.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.3 tt -70.09 140.07 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.452 ' O ' ' CG ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -120.42 97.02 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 79.2 p -60.01 150.43 29.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 101' ' ' LYS . . . 92.96 169.04 39.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.55 1.156 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 5.8 mtpp 75.84 -49.46 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 0.808 . . . . 0.0 109.242 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -172.8 34.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.604 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -155.35 162.97 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.509 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.7 OUTLIER -120.44 -67.24 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 171.19 38.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.24 16.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.491 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 63.74 16.81 59.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.48 147.64 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.429 ' CD1' ' SD ' ' A' ' 131' ' ' MET . 5.6 mt -82.72 139.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.75 -153.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.415 ' HB2' ' NE2' ' A' ' 102' ' ' HIS . 4.5 mm? 65.99 163.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 113' ' ' TYR . 18.0 Cg_endo -75.09 4.99 4.29 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.786 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 112' ' ' PRO . 1.9 t80 -32.19 -47.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.86 -50.05 18.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 115' ' ' HIS . 15.9 t60 -93.11 47.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.62 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 112' ' ' PRO . 1.3 tt0 -124.08 -71.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 119' ' ' HIS . 3.8 t90 -65.55 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 108.02 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.539 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 38.5 47.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.973 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -55.99 -44.58 99.76 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.545 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.973 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.0 -51.54 0.16 OUTLIER 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.019 0.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 27.8 tp60 63.38 -64.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.0 OUTLIER -52.61 164.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -134.35 171.56 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.88 -57.83 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 mp -47.19 -61.16 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.212 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.1 -40.2 65.89 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 83' ' ' ASN . 9.2 tt -57.13 -48.47 78.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.4 mm -59.39 -34.97 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -60.71 -46.92 88.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.453 HG11 ' CE1' ' A' ' 113' ' ' TYR . 3.0 t -61.37 -41.32 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.429 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 9.3 tpp -65.46 -36.91 85.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.66 -35.24 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 23.8 t -78.15 -38.11 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.66 -31.92 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 140' ' ' PRO . 2.1 m-30 -111.16 32.87 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -130.84 -47.93 0.13 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -54.78 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -109.21 157.72 36.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.21 3.74 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.433 1.754 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 18.5 Cg_endo -74.9 -28.46 9.34 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.435 1.755 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 13.8 p -170.19 61.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -59.08 129.64 43.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 5.2 t -97.26 177.96 5.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.449 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -62.53 152.31 81.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.962 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 pt-20 -52.66 148.66 12.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.49 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.97 -85.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.37 -55.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.72 149.23 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 137.97 22.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 167.38 27.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.0 OUTLIER -85.03 152.56 23.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.7 pt-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.31 -46.22 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -49.18 68.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' MET . 3.0 tt0 -61.22 -25.07 66.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -67.61 -48.28 67.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -69.63 -32.66 71.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -12.76 55.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' GLN . 8.9 ttm -78.7 -12.27 60.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.08 -84.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.576 1.173 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.418 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER 54.56 29.6 11.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -143.75 -47.38 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 78' ' ' ASP . 5.4 m-30 -46.75 135.72 8.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -57.09 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -94.69 63.9 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 13' ' ' SER . 32.0 ttp180 -55.88 -29.15 59.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -84.33 -56.93 3.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.461 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 1.8 tp -55.47 -30.61 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -69.84 -56.49 6.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 3.5 t -61.27 -42.46 93.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.46 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.66 -20.01 64.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.494 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 7.8 mt-10 -76.64 -33.69 58.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.299 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.5 m -83.41 -47.54 11.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 30' ' ' THR . 11.6 m -47.24 -53.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.506 ' CG ' ' N ' ' A' ' 28' ' ' VAL . 4.3 p30 -61.58 -44.71 96.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.399 1.062 . . . . 0.0 109.213 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.506 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 1.8 t -57.56 -65.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' LYS . 13.5 pt -55.49 -29.01 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.395 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -70.41 -23.36 62.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tp -88.34 -49.74 6.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.498 ' CD2' HG13 ' A' ' 28' ' ' VAL . 3.9 m-85 -87.3 -61.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ILE . 5.2 ttpm? 81.73 4.44 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.29 -24.01 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.61 98.76 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 119.52 76.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.62 5.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -119.78 160.48 20.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.44 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.9 tm? -114.23 143.79 44.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' N ' HD12 ' A' ' 39' ' ' LEU . 1.5 p30 -132.15 144.09 50.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.2 t -130.08 131.54 45.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.2 t80 -148.16 142.12 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.8 m -77.34 144.75 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.192 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 39.3 m-85 -146.97 -62.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 47' ' ' GLY . 34.0 m-20 -58.05 98.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 47.06 25.93 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 86.6 55.51 2.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' SER . 8.6 t -126.35 113.68 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' SER . 39.3 m -37.54 144.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.05 137.26 42.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.23 119.59 23.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.48 124.66 15.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.6 ptm -96.16 138.59 33.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -129.27 171.77 12.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mt -128.96 146.39 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -162.36 131.59 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.45 -173.02 44.24 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 p -106.33 108.3 19.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.395 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.456 ' CG1' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -88.61 145.82 36.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.357 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HD2' ' CG1' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.05 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.65 111.17 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.09 17.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.559 1.82 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -128.49 -171.02 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.94 49.03 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.7 -38.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 178.78 -175.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 0.793 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 m -103.57 109.26 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.537 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.7 m-85 -86.66 -167.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -131.18 116.92 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -112.33 138.89 22.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.466 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 18.1 Cg_endo -75.06 150.13 37.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.5 mm -138.17 150.98 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.245 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 88' ' ' PHE . 25.8 t -155.39 113.12 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 108.301 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -141.42 160.92 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -106.47 144.21 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 tp -116.2 116.97 28.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 mp -82.93 -176.44 6.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.494 ' HA ' ' CD2' ' A' ' 15' ' ' TYR . 3.2 m-20 -71.56 -62.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.229 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.438 ' CB ' ' CD ' ' A' ' 84' ' ' PRO . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.0 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 86' ' ' ILE . 18.5 Cg_endo -74.96 -66.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 85' ' ' PRO . 6.4 mt -31.95 108.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.9 p -141.0 134.88 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 108.26 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.537 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 16.7 p90 -172.66 175.14 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 2.2 p -126.24 148.49 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 86.43 18.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.98 42.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.4 p -74.93 176.43 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.349 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.81 -34.07 39.84 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -10.55 59.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.5 mtt -81.72 -169.8 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 m -119.23 -144.29 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 174.17 130.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 122.41 41.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 41.7 p -96.56 138.74 33.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.68 -144.13 6.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.99 50.36 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 0.713 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.428 ' NE2' HG12 ' A' ' 134' ' ' VAL . 5.2 m170 -161.88 -50.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.555 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -118.94 167.27 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.489 ' O ' ' CG2' ' A' ' 99' ' ' THR . 1.9 t70 -104.79 -55.55 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.419 1.075 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 171.35 -34.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -92.72 -0.77 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.68 -5.51 56.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -68.98 129.45 39.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.5 mt -68.59 132.94 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -145.85 101.72 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.438 HD22 ' CB ' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -177.34 173.21 0.73 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.305 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 83.17 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.438 ' CB ' HD22 ' A' ' 111' ' ' LEU . 16.0 t80 -126.67 -42.61 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 115' ' ' HIS . 0.3 OUTLIER -75.61 -42.88 50.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.413 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 41.4 t60 -96.68 39.04 1.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.594 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.97 -75.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 118' ' ' LYS . 54.4 t-105 -63.21 -79.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.526 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.6 tttp 37.22 43.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.966 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -53.38 -45.61 98.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.602 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.966 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.0 -49.73 0.22 Allowed 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.954 -0.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 30.4 tp60 63.55 -64.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 120' ' ' PRO . 16.1 t -39.87 139.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.29 177.87 6.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.9 -55.72 5.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.448 ' CD2' ' OD1' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -46.84 -61.68 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.8 88.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 4.4 tt -41.44 -61.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.442 ' CG2' ' OH ' ' A' ' 32' ' ' TYR . 3.0 mp -66.89 -35.13 73.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -56.21 -44.65 79.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 37.3 t -67.24 -39.57 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' A' ' 135' ' ' PHE . 16.8 tpp -68.75 -41.16 79.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 111.053 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.3 mt -61.4 -31.72 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.1 t -79.82 -50.55 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.428 HG12 ' NE2' ' A' ' 102' ' ' HIS . 78.6 t -56.6 -50.96 71.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.446 ' CE1' ' SD ' ' A' ' 131' ' ' MET . 8.1 m-85 -87.94 22.22 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -118.12 -39.41 0.75 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -64.89 -65.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -103.07 164.3 15.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.401 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.4 Cg_endo -74.85 -26.93 10.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 14.0 p -171.66 63.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.53 ' O ' ' CD1' ' A' ' 142' ' ' PHE . 23.8 p90 -61.9 132.35 52.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.81 169.58 11.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -93.59 127.5 45.84 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . 0.418 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -52.49 151.26 7.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.1 Cg_endo -75.04 -81.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.578 1.83 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.521 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 73.88 -55.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.445 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.35 149.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.537 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.95 135.41 19.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.797 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.95 171.58 18.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -90.5 162.01 15.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.244 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.444 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 3.1 tm-20 -38.48 -32.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 4' ' ' SER . 9.0 t -62.17 -59.22 5.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.65 -26.66 68.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.086 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.2 OUTLIER -54.33 -61.32 2.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -24.16 4.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.7 -29.23 30.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -76.84 -16.26 59.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.17 -95.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.4 p 56.75 16.83 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -33.78 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.49 ' CD2' HG21 ' A' ' 21' ' ' THR . 4.4 m-85 -50.16 129.0 20.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -34.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' THR . 17.7 m-85 -135.13 63.34 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 9.8 ttp-105 -48.34 -47.39 37.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -56.64 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -28.17 67.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.49 HG21 ' CD2' ' A' ' 15' ' ' TYR . 53.9 m -73.19 -59.14 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.44 -34.47 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -66.32 -39.56 89.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -34.49 63.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -68.02 -52.83 31.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' THR . 27.4 m -62.18 -39.05 82.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -53.85 -42.23 68.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 109.257 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 125' ' ' LEU . 3.8 t -60.96 -66.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.4 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 20.9 pt -55.21 -23.36 13.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -72.54 -27.17 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.441 ' CD2' ' CE1' ' A' ' 32' ' ' TYR . 1.3 tt -88.08 -48.15 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.458 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 26.6 m-85 -90.55 -64.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 85.46 15.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -109.67 -23.77 11.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.98 174.01 10.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -153.12 121.44 3.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 121.86 6.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -116.36 158.38 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' CD2' ' HG3' ' A' ' 53' ' ' MET . 0.4 OUTLIER -110.17 133.82 52.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 52' ' ' LEU . 42.4 p30 -134.75 153.93 51.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -135.9 134.31 38.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.188 . . . . 0.0 109.945 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.5 t80 -147.71 151.19 35.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.411 1.069 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 m -79.58 140.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 29.8 m-85 -144.15 -66.64 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.432 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -49.7 96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' PHE . 8.6 t70 42.9 28.2 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 109.239 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 87.7 63.56 1.4 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -138.75 117.81 12.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 0.741 . . . . 0.0 109.946 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 p -39.99 142.63 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.407 1.067 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.76 135.71 26.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.82 110.89 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -123.33 160.18 27.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.419 ' HG3' ' CD2' ' A' ' 39' ' ' LEU . 2.6 ttp -114.73 157.09 23.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 4.7 p-10 -153.15 166.77 31.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -126.72 154.49 44.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 t -166.09 147.82 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.26 -169.13 39.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.589 1.181 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 p -112.9 115.51 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 110.46 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.455 ' CD1' HG13 ' A' ' 72' ' ' ILE . 13.6 mt -86.7 133.97 38.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.01 102.99 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.483 1.781 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -91.91 113.95 60.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 161.39 38.6 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.456 1.766 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 66' ' ' ASN . 0.4 OUTLIER -139.48 -146.73 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.88 53.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . 115.95 26.49 3.26 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.4 m120 -162.81 170.69 17.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 65.8 m -151.45 101.13 2.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.523 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 3.5 m-85 -84.03 -170.89 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.18 120.92 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.438 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -108.18 151.55 41.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.41 ' CB ' ' O ' ' A' ' 90' ' ' LYS . 18.2 Cg_endo -75.03 148.1 34.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.575 1.829 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.455 HG13 ' CD1' ' A' ' 59' ' ' ILE . 18.9 mm -145.72 140.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.243 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.593 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 4.2 t -156.78 118.31 3.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -144.49 138.73 27.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 21.6 m95 -79.87 178.82 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.025 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -141.74 129.8 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.381 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -101.0 -175.88 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.03 -44.62 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.516 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 83' ' ' ASN . 18.1 Cg_endo -75.07 111.27 3.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.471 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 18.0 Cg_endo -75.04 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.962 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 73.2 mt -127.86 146.43 33.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 74.0 m -136.39 138.36 41.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.276 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 3.2 p90 -173.84 161.71 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.8 p -103.02 149.98 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 1.5 mmtp -118.97 79.5 17.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 156.92 43.11 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.441 1.758 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 p -73.73 -161.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.7 -29.82 12.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.45 -15.44 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.468 ' HE3' ' CA ' ' B' ' 208' ' ' THR . 3.5 mtt -62.57 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.1 m -156.39 103.92 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.7 tt -81.54 155.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -131.19 111.48 11.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.178 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 34.3 p -65.47 139.38 58.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.31 -154.68 10.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 0.7 OUTLIER -89.7 47.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 19.9 m170 -160.76 -48.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 0.0 109.639 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 104' ' ' ASP . 53.2 t -116.67 145.89 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -86.38 -55.46 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 163.42 -34.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -88.58 -1.57 58.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.6 -21.65 41.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.32 116.78 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.1 mt -57.56 130.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -102.08 54.95 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.0 mt -131.47 160.43 67.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.4 Cg_endo -74.99 -54.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.49 ' CZ ' HG11 ' A' ' 130' ' ' VAL . 0.8 OUTLIER 59.71 -77.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 112' ' ' PRO . 5.1 tt -54.05 -44.04 70.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.82 33.73 2.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -130.58 -67.28 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.252 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.0 t-105 -75.42 -81.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.484 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER 46.14 42.77 10.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.232 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.933 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.16 -45.99 98.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.933 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.96 -46.85 0.34 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.029 -0.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 58.1 -72.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -43.49 147.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -133.03 178.25 7.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -49.63 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.448 ' CD1' HG21 ' A' ' 28' ' ' VAL . 9.9 mp -61.62 -55.46 30.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -52.63 -41.47 57.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 84' ' ' PRO . 7.7 tt -49.03 -57.13 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.3 mp -63.2 -33.31 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.83 -43.9 91.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.49 HG11 ' CZ ' ' A' ' 113' ' ' TYR . 6.5 t -59.94 -44.13 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 22.4 ttm -63.96 -36.15 83.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 36.9 mt -66.37 -26.88 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 t -79.17 -31.82 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.55 -40.03 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.451 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 3.7 m-30 -95.09 21.88 7.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.28 -29.69 2.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.48 -65.8 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 0.73 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.95 163.32 19.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.25 3.75 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.451 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.99 -28.22 9.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.4 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 14.7 p -171.95 60.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -58.8 132.93 55.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 2.4 t -97.72 175.89 6.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.439 ' N ' ' OG ' ' A' ' 143' ' ' SER . 35.5 ptt85 -88.13 156.99 51.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 110.966 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -47.12 149.01 1.8 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.453 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.4 Cg_endo -75.0 -83.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.543 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.82 -57.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.88 151.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.508 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 138.88 23.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.523 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.05 178.97 6.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -123.23 154.53 38.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -35.14 -36.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.341 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER -62.36 -60.5 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -23.02 62.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -34.39 75.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HE2' ' NE ' ' A' ' 18' ' ' ARG . 6.8 tmtt? -68.31 -30.5 69.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -85.79 -11.98 52.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.504 ' SD ' ' CB ' ' A' ' 39' ' ' LEU . 2.8 mtm -78.49 -10.45 59.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -93.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.6 28.29 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.32 22.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -107.1 148.23 29.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.577 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -51.71 -24.53 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 0.0 109.368 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 13.6 m-85 -151.46 69.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 111.062 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' NE ' ' HE2' ' A' ' 9' ' ' LYS . 4.0 ttp-105 -59.68 -43.65 93.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 110.23 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.67 -55.34 36.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.02 -32.3 70.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -71.62 -52.36 18.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.02 -41.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -33.95 72.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 13.1 mt-10 -73.96 -43.15 59.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -62.19 -48.99 77.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 30' ' ' THR . 23.0 m -63.08 -41.21 91.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -62.49 -38.24 89.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 79.2 t -61.03 -61.4 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 47.7 pt -59.97 -32.12 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.193 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 19.0 m -71.95 -23.34 61.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 HD23 ' CZ ' ' A' ' 32' ' ' TYR . 4.0 tp -85.82 -49.25 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.521 ' CE1' HD13 ' A' ' 132' ' ' ILE . 31.5 m-85 -104.79 -58.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 86.74 1.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.601 1.188 . . . . 0.0 109.352 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -96.47 -24.15 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -87.85 96.74 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -82.25 121.18 78.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 138.55 23.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.465 ' CG1' ' OD1' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -138.28 159.77 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.504 ' CB ' ' SD ' ' A' ' 11' ' ' MET . 1.8 tm? -113.76 135.74 53.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.506 ' OD2' ' CH2' ' A' ' 75' ' ' TRP . 8.4 p-10 -138.93 136.28 35.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.5 t -129.76 133.97 47.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 4.0 t80 -164.62 169.12 17.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.5 139.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.8 m-85 -141.79 -62.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.3 m120 -52.13 92.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 25.3 t70 43.09 28.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 93.64 61.27 1.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.68 115.59 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 t -42.21 141.07 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -142.4 140.48 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -110.21 112.02 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.505 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -149.02 145.23 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.504 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 27.9 ptm -91.0 149.24 21.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.069 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.465 ' OD1' ' CG1' ' A' ' 38' ' ' VAL . 6.1 p30 -125.67 165.54 18.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -118.61 141.56 48.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 t -149.8 144.41 25.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 155.01 -170.5 33.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.8 p -122.87 110.99 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.338 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.46 ' CG2' HD12 ' A' ' 35' ' ' LEU . 28.1 pt -80.5 146.07 60.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.76 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.61 114.62 65.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.57 42.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.414 1.744 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.458 ' CB ' ' OD1' ' A' ' 66' ' ' ASN . 1.3 t80 -124.69 -147.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -94.59 5.85 50.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.61 41.65 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.458 ' OD1' ' CB ' ' A' ' 63' ' ' TYR . 3.6 p30 168.43 -176.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.9 m -153.52 113.74 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 0.8 OUTLIER -88.09 -165.28 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.83 112.61 16.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -108.29 133.34 20.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 164.0 34.17 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -165.91 167.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 7.6 t -167.99 143.0 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.553 1.158 . . . . 0.0 108.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -150.84 157.71 43.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.506 ' CH2' ' OD2' ' A' ' 40' ' ' ASP . 16.1 m95 -107.14 100.03 9.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.023 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.404 ' CD1' HD21 ' A' ' 124' ' ' LEU . 1.1 tp -68.82 79.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.43 178.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' A' ' 79' ' ' THR . 20.8 p-10 -70.27 -33.66 71.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.511 ' CB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 110.416 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.627 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.01 115.85 4.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.446 ' HD2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.96 179.8 5.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.418 1.746 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 7.0 mt -67.39 121.92 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 93.6 m -113.49 113.33 24.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 6.1 p90 -144.35 135.39 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 4.4 p -80.62 148.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' N ' HG21 ' A' ' 89' ' ' VAL . 4.9 mmmt -122.78 89.66 50.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.379 1.049 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 159.76 41.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.409 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 59.2 p -80.51 -135.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -44.63 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.6 t -74.1 -9.72 58.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 1.9 mtm -81.19 179.19 7.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 t -154.61 126.67 7.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 105' ' ' ALA . 2.0 mt -66.8 150.66 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.44 81.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 39.8 p -61.96 138.69 58.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.83 -137.98 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 4.4 mttt -93.5 36.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 10.1 m170 -148.67 -55.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.1 t -111.3 152.02 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' THR . 1.1 t0 -91.71 -65.06 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.441 ' O ' ' CD1' ' A' ' 97' ' ' ILE . . . 174.0 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -9.59 56.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.41 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 94.35 19.87 31.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.74 144.55 31.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.34 141.4 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -94.49 -54.45 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.7 mt -42.63 119.37 2.43 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 53.37 3.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.527 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.2 p90 -65.22 -39.38 92.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.527 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -56.6 -35.09 67.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.435 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 4.3 t-160 -99.09 28.93 4.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -120.11 -73.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 43.6 t-105 -64.75 -80.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.049 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.524 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER 36.53 42.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.966 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -54.58 -45.28 99.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.55 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.966 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.99 -49.8 0.21 Allowed 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.005 0.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 29.1 tp60 63.33 -65.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 120' ' ' PRO . 5.5 t -44.61 161.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -127.15 173.54 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.404 HD21 ' CD1' ' A' ' 76' ' ' LEU . 1.8 tp -50.56 -38.45 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.17 -56.55 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.42 -43.46 93.93 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.537 1.148 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.468 ' C ' ' CD2' ' A' ' 127' ' ' LEU . 3.9 tt -47.29 -64.51 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.409 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 4.7 mt -59.11 -30.8 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -58.71 -43.72 90.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.62 -42.3 94.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 17.1 ttm -66.81 -32.83 74.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.521 HD13 ' CE1' ' A' ' 32' ' ' TYR . 24.6 mt -64.16 -36.86 78.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 19.9 t -77.47 -33.96 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.53 -50.61 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.6 m-85 -90.59 19.38 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -114.33 -13.44 9.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.77 -60.95 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.79 159.68 28.7 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.405 1.739 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.52 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.1 Cg_endo -75.1 -28.71 8.78 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.447 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 8.1 p -170.11 61.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -57.51 140.78 49.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.4 t -103.13 174.25 5.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.428 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.1 OUTLIER -63.23 148.82 92.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.223 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -54.75 150.02 20.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.98 -87.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 77.64 -53.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 87.64 150.53 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.414 ' CD ' HD12 ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.09 144.7 30.25 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.02 -168.55 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -118.43 162.58 18.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.73 -46.0 10.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.74 -37.88 88.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.04 -19.46 51.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.0 OUTLIER -68.48 -40.89 80.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HG2' ' NH1' ' A' ' 18' ' ' ARG . 18.3 tttt -67.27 -41.48 85.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -79.53 -12.17 59.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.471 ' HG3' ' CD2' ' A' ' 39' ' ' LEU . 9.0 ttm -78.41 -15.42 58.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG11 ' CG ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -125.15 -96.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 t 55.76 20.13 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.966 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 15' ' ' TYR . 9.1 ttpt -141.66 -45.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.472 ' CG ' HG11 ' A' ' 12' ' ' VAL . 2.5 m-30 -34.05 150.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -50.72 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -133.1 58.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.415 ' NH1' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -44.21 -28.7 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -69.5 -55.88 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.5 -40.69 83.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' CD2' ' A' ' 76' ' ' LEU . 53.5 m -62.46 -49.94 73.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 3.4 t -59.66 -46.77 92.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 30.3 ttp180 -67.39 -30.29 70.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.05 -41.83 49.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 m -68.47 -55.89 10.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.133 . . . . 0.0 110.434 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' THR . 30.5 m -52.37 -40.11 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -55.53 -47.36 76.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.23 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.85 -68.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' LYS . 19.3 pt -52.14 -28.65 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -69.2 -23.12 63.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -46.48 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 74.5 m-85 -92.65 -63.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER 88.04 11.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.91 -20.63 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.59 166.33 21.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -154.97 122.18 2.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 128.71 11.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -125.82 161.87 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 11' ' ' MET . 1.3 tm? -119.82 119.37 33.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.564 ' OD2' ' CH2' ' A' ' 75' ' ' TRP . 42.0 p30 -131.22 160.18 35.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.3 t -143.31 127.25 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 6.8 t80 -152.21 162.95 40.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.548 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 10.4 m -78.35 139.52 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 24.1 m-85 -143.72 -67.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -51.38 98.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 t0 50.35 27.31 2.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.1 49.36 5.61 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.1 t -121.29 121.75 38.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 0.735 . . . . 0.0 109.971 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.7 m -38.21 142.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.409 1.068 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -149.52 141.21 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -114.65 136.85 52.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -172.81 152.39 2.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.49 ' SD ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ppp? -86.5 139.48 30.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -125.23 164.28 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 55' ' ' LEU . 3.1 mm? -105.04 148.99 26.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' LYS . 3.8 t -153.87 139.66 18.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.43 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.77 170.21 21.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.8 p -103.45 103.41 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.476 ' CD1' HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -70.06 138.27 87.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 92.83 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.38 114.09 37.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.11 43.1 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.36 -163.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -12.18 60.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.237 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 66' ' ' ASN . . . -178.43 34.91 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.442 1.088 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 3.2 m120 -164.39 -178.47 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 0.721 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.2 m -156.27 107.84 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.5 m-85 -89.91 -170.74 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -127.7 110.76 12.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -109.17 128.72 24.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.447 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.3 Cg_endo -74.97 157.8 42.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' A' ' 131' ' ' MET . 0.1 OUTLIER -147.21 167.83 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 88' ' ' PHE . 11.8 t -151.96 103.5 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.5 135.83 43.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.564 ' CH2' ' OD2' ' A' ' 40' ' ' ASP . 93.7 m95 -103.68 91.93 4.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.49 ' CD2' ' SD ' ' A' ' 53' ' ' MET . 7.5 tp -79.72 98.52 7.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.62 -158.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.247 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.11 45.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 79' ' ' THR . 5.5 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.419 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.34 3.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.496 1.788 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.56 4.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.445 1.761 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 mt -117.85 94.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 40.0 m -116.1 131.87 56.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.408 ' CB ' ' HB3' ' A' ' 73' ' ' CYS . 19.7 m-85 -137.28 173.19 11.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.0 p -131.2 152.6 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.245 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -118.16 80.04 15.09 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -170.25 0.75 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 p -118.69 -139.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.21 -42.87 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.47 -8.14 57.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.5 mtt -65.74 -173.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.0 m -151.36 86.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.391 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -58.39 134.23 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.379 1.049 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 102.03 11.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 72.3 p -82.73 138.06 34.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.07 -136.96 4.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 47.76 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 0.738 . . . . 0.0 109.369 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.568 ' CD2' HD11 ' A' ' 111' ' ' LEU . 3.6 m80 -163.74 -56.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.656 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 t -112.06 170.47 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -117.68 -58.23 2.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 163.07 -38.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.7 0.79 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.53 23.94 44.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.02 119.14 38.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.47 138.48 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -148.39 100.28 3.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 102' ' ' HIS . 0.6 OUTLIER -177.26 177.42 0.45 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 111' ' ' LEU . 18.3 Cg_endo -74.99 74.71 3.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -117.64 -43.9 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.77 -41.8 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 112' ' ' PRO . 2.0 p-80 -93.5 40.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.33 -71.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.46 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 37.7 t-105 -75.0 -84.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.549 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.8 tttt 44.34 47.33 7.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.932 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -51.78 -46.04 91.9 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 109.603 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.932 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.04 -51.98 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 120.946 -2.522 . . . . 0.0 110.998 0.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.541 ' CD ' ' C ' ' A' ' 121' ' ' GLN . 0.0 OUTLIER 60.79 -69.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 120' ' ' PRO . 4.7 t -38.41 146.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.06 174.24 6.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.377 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.41 ' CD1' HD13 ' A' ' 76' ' ' LEU . 1.2 tp -47.05 -45.6 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.6 mp -58.83 -45.98 88.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.25 -34.26 74.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 tt -50.87 -60.26 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.784 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 59' ' ' ILE . 3.3 mt -61.79 -35.61 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -52.14 -44.9 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 93.3 t -60.95 -38.35 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' A' ' 72' ' ' ILE . 2.2 ttm -64.89 -43.19 93.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.476 HD11 ' CD1' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -59.47 -30.17 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 t -77.72 -41.96 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.405 HG13 ' NE2' ' A' ' 102' ' ' HIS . 79.3 t -69.38 -50.38 52.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.614 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 4.2 m-85 -75.02 -6.77 51.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -92.41 -40.19 5.15 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -55.64 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.58 151.46 39.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.614 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.98 -27.84 9.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 13.0 p -173.9 56.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 16.5 p90 -55.89 128.02 33.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' B' ' 208' ' ' THR . 17.7 t -103.04 -177.49 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.937 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.435 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.2 OUTLIER -79.19 154.78 77.26 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.266 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 111.029 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -50.82 151.21 4.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.47 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -75.01 -81.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.494 1.786 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.539 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.44 -56.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 87.04 149.06 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.568 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.08 139.31 23.93 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.392 1.733 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.98 169.86 21.69 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.81 -151.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.434 ' OE1' ' CG1' ' A' ' 22' ' ' VAL . 4.6 tm-20 -39.08 -41.96 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -49.05 77.08 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -70.25 -25.44 63.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 1.076 . . . . 0.0 110.332 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' MET . 1.3 tp -56.3 -60.08 4.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.2 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -51.85 -25.82 8.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -29.26 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -72.22 -19.8 61.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -94.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.93 17.58 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -37.78 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.59 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 3.5 m-30 -48.2 144.7 3.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -44.0 -52.64 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.378 1.049 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 34.3 m-85 -127.2 68.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.35 -36.97 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -54.45 42.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.01 -35.51 71.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 15' ' ' TYR . 48.0 m -69.39 -55.71 9.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.436 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.434 ' CG1' ' OE1' ' A' ' 5' ' ' GLU . 39.2 t -52.04 -43.42 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.223 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -30.0 70.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -42.94 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.3 m -66.52 -45.14 80.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' THR . 26.5 m -63.75 -46.45 94.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -47.22 -46.06 23.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 31' ' ' LEU . 38.6 t -57.12 -69.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.5 pt -53.83 -20.62 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' VAL . 14.4 m -81.72 -19.25 41.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -98.29 -53.64 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CZ ' HG22 ' A' ' 128' ' ' ILE . 95.8 m-85 -89.92 -51.63 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt 70.97 10.04 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.66 -21.15 13.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' CD1' ' CG2' ' A' ' 59' ' ' ILE . 1.1 mp -75.89 170.27 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.36 113.84 3.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 120.1 5.92 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -113.81 159.64 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.23 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.439 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -116.42 129.5 56.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 41' ' ' SER . 51.3 t0 -151.82 162.3 41.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.412 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.4 t -128.72 133.3 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.1 t80 -121.36 157.36 30.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 m -84.29 142.28 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 43.9 m-85 -145.72 -67.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -51.99 93.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.229 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' PHE . 36.2 t0 46.6 26.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 92.09 51.55 2.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 t -121.51 120.66 35.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 p -45.46 146.09 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.051 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -147.21 136.85 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -75.53 124.92 28.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -150.09 171.43 16.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 ttm -116.64 158.4 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 5.3 p-10 -148.24 158.52 44.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 55' ' ' LEU . 4.3 mm? -117.0 147.45 42.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 t -161.75 143.01 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.75 -169.51 41.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.374 1.046 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 p -118.34 99.46 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.382 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.462 ' CG2' ' CD1' ' A' ' 35' ' ' LEU . 7.4 pt -82.29 144.63 50.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 113.6 3.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 t -100.43 108.98 55.61 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.411 ' CA ' HG23 ' A' ' 67' ' ' THR . 18.5 Cg_endo -74.96 149.22 36.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.822 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.511 ' CE1' ' HG2' ' B' ' 210' ' ' PRO . 0.6 OUTLIER -132.91 24.84 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 66.68 83.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.261 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.15 -22.49 10.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.02 170.12 18.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.411 HG23 ' CA ' ' A' ' 62' ' ' PRO . 6.8 m -152.18 107.8 3.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 2.0 m-85 -89.26 -167.52 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -126.46 112.92 16.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.422 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -109.14 143.59 27.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.472 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.0 153.84 42.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.0 mm -142.24 147.03 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.5 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 1.7 t -153.18 130.72 11.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.4 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 1.7 pt? -163.84 156.23 17.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -94.81 169.83 9.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 107.975 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.482 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 1.3 tp -126.7 115.52 19.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.59 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -55.81 -169.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.535 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -145.14 24.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 79' ' ' THR . 2.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.54 14.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 110.958 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -2.16 12.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.0 mm -86.02 89.55 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.402 ' HB3' ' CE ' ' A' ' 131' ' ' MET . 38.7 m -129.42 105.15 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.27 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 23.3 p90 -136.35 140.9 43.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 6.1 p -86.96 147.9 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -116.8 83.82 14.81 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.98 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.431 1.753 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.0 p -109.47 -160.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.451 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.83 -29.78 12.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -81.71 -6.48 59.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.1 mtt -82.49 -175.68 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.3 m -146.15 99.3 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.429 ' N ' HG21 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -67.2 135.04 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.52 129.7 54.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 30.1 p -98.1 139.09 34.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.406 1.066 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.88 -133.33 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 3.4 mmtt -96.81 43.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.797 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 8.8 m-70 -160.16 -61.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.061 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.6 t -103.54 137.06 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.8 OUTLIER -89.81 -67.85 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -178.54 54.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -167.44 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 123.5 -5.88 9.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.52 1.137 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -76.7 136.0 39.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.8 mt -81.39 141.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -137.35 84.27 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.165 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 102' ' ' HIS . 17.3 mt -154.76 142.5 14.04 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 52.1 2.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.559 1.821 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 9.7 p90 -88.56 -31.82 18.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -79.77 -28.32 40.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -96.93 31.49 2.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.586 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.23 -64.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.419 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.2 t-105 -62.92 -80.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.031 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.521 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 5.2 tttt 43.8 41.29 3.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.938 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.2 -46.31 97.88 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.562 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.938 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.02 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.956 0.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.4 tm0? 61.16 -67.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -48.02 152.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.22 176.78 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -48.33 -39.86 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.55 -52.48 65.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.58 -28.91 74.08 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.87 -58.79 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.527 HG22 ' CZ ' ' A' ' 32' ' ' TYR . 3.9 mt -59.57 -23.77 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.98 -43.12 72.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.18 -42.17 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.402 ' CE ' ' HB3' ' A' ' 87' ' ' CYS . 5.9 mtt -64.22 -37.13 86.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 mt -64.69 -28.5 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.59 -45.05 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.516 HG12 ' CE1' ' A' ' 102' ' ' HIS . 53.4 t -71.8 -50.84 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -70.5 -16.77 62.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -85.31 -31.89 21.26 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.62 -51.44 5.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 1.0 OUTLIER -106.12 142.27 24.49 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.86 3.66 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.389 1.731 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 138' ' ' GLU . 18.1 Cg_endo -75.02 -29.24 8.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.429 HG21 ' N ' ' A' ' 97' ' ' ILE . 11.1 p -168.87 56.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 36.2 p90 -57.89 123.27 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.0 OUTLIER -81.13 171.08 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.42 125.28 29.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 pt-20 -50.73 148.47 7.13 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' B' ' 208' ' ' THR . 18.4 Cg_endo -74.95 -86.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.42 -54.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 85.98 149.81 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.511 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.06 140.41 25.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.95 175.52 11.12 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.82 155.34 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 110.32 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.99 -46.16 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -59.51 -42.66 92.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -77.03 -21.1 55.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.7 OUTLIER -65.4 -36.32 83.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HE3' ' NH2' ' A' ' 18' ' ' ARG . 54.4 tttt -65.82 -33.28 75.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -11.44 53.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.463 ' HG3' ' CD2' ' A' ' 39' ' ' LEU . 10.8 ttm -81.04 -29.1 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.45 HG23 ' CG2' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -90.27 -98.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 t 46.68 25.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 110.074 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 12.6 tttp -154.1 57.65 0.72 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -150.33 146.0 26.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HD3' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -43.2 -45.91 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.378 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.415 ' CE2' ' HD3' ' A' ' 16' ' ' LYS . 56.7 m-85 -131.65 76.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.418 ' NH2' ' HE3' ' A' ' 9' ' ' LYS . 18.0 ttp180 -59.85 -39.59 85.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -55.77 18.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.36 -35.24 76.9 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -70.39 -56.84 5.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 4.0 t -56.7 -28.82 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -32.5 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.219 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -41.05 44.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 m -67.42 -50.86 57.55 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.444 1.09 . . . . 0.0 110.451 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 22' ' ' VAL . 31.7 m -57.0 -41.45 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -56.01 -42.12 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.445 HG12 ' CE2' ' A' ' 32' ' ' TYR . 22.4 t -61.21 -65.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' LYS . 35.3 pt -56.5 -23.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -71.96 -27.52 62.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -88.52 -45.47 9.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.486 ' CE2' HG23 ' A' ' 128' ' ' ILE . 15.9 m-85 -87.07 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER 83.46 6.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 -24.52 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.35 139.34 45.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -123.45 116.7 28.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 128.99 11.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -122.16 162.85 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -113.74 140.66 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 52' ' ' LEU . 45.1 p30 -143.53 152.27 41.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -133.64 119.67 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.087 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.1 t80 -129.69 162.17 28.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.43 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 3.4 m -82.75 135.15 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 24.0 m-85 -139.68 -62.08 0.53 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -56.23 92.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 46.3 27.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.88 61.38 1.36 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.39 111.78 9.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 110.054 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.63 135.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.98 137.19 29.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.48 128.11 35.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.403 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -143.7 147.46 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.37 155.6 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 1.8 p-10 -152.12 146.62 25.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -99.19 142.88 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.409 ' OG1' ' NZ ' ' A' ' 90' ' ' LYS . 3.1 t -156.25 135.8 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.86 -176.21 43.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 p -107.48 110.14 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.382 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.6 mt -85.66 137.28 36.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 111.37 3.31 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.26 115.29 60.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.77 18.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.36 -174.8 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 48.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.55 -35.8 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -175.33 -175.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.739 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.7 m -114.23 104.37 12.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 3.3 m-85 -81.7 -167.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.88 118.59 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 109.38 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.407 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -108.28 141.83 24.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 146.49 32.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.0 mm -136.43 150.44 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.564 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 42.5 t -154.33 127.81 8.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 108.277 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 1.9 pt? -159.65 145.25 15.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.499 ' O ' ' CG ' ' A' ' 84' ' ' PRO . 32.3 m95 -83.78 -178.98 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 107.969 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.64 106.03 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt -76.8 -167.59 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -85.88 -58.89 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.499 ' CG ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.97 124.13 8.41 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -12.47 21.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.812 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.419 HG21 ' CD1' ' A' ' 75' ' ' TRP . 4.2 mp -90.48 98.4 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.3 m -132.08 117.11 17.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 108.31 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' SG ' ' A' ' 73' ' ' CYS . 49.1 p90 -152.33 159.59 43.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.146 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 13.3 p -97.7 146.59 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' NZ ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -120.05 81.67 28.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 156.48 43.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.8 p -71.59 -167.11 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -33.51 13.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.959 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.62 -17.92 59.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.0 mtt -63.66 -171.84 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.2 m -145.22 106.25 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.62 131.77 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.06 89.15 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 p -65.18 141.86 58.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.81 -148.38 8.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.584 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 0.0 OUTLIER -90.16 45.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 0.768 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 14.3 m170 -153.51 -50.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.568 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.4 t -111.22 166.67 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.84 -61.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 177.42 -36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.84 -18.1 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.23 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 115.6 -5.11 21.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 137.85 45.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.6 mt -68.96 122.93 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' A' ' 110' ' ' TYR . 20.0 t80 -105.96 35.76 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 1.0 OUTLIER -117.43 121.95 31.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.83 4.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 27.9 m-85 -70.67 -20.12 62.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.7 tp -79.81 -31.42 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.232 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.99 20.31 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -115.88 -75.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 44.7 t-105 -62.59 -78.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 108.048 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.507 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 39.51 39.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.95 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -52.52 -46.22 95.42 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 109.56 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.95 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.99 -45.37 0.46 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.023 -0.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 25.5 tp60 60.53 -66.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 120' ' ' PRO . 8.2 t -40.77 157.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.941 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 126' ' ' GLY . 51.3 m-20 -131.25 167.56 19.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.1 tp -43.35 -39.64 3.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.68 -46.47 88.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -70.24 -21.76 77.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.29 -61.02 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.486 HG23 ' CE2' ' A' ' 32' ' ' TYR . 4.8 mp -63.78 -38.97 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.12 -46.43 68.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.22 -35.54 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.95 -34.3 73.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.6 -31.95 54.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.9 t -76.29 -32.86 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.6 t -77.19 -39.44 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.2 m-85 -103.81 32.5 3.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -123.49 -39.45 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.13 -50.88 14.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -106.0 155.52 38.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.563 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -75.08 -26.72 10.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 14.9 p -173.01 61.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 16.8 p90 -59.35 129.54 42.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 6.4 t -98.11 178.28 5.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' OG ' ' A' ' 143' ' ' SER . 6.4 ppt_? -64.66 155.5 81.65 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.04 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -49.59 149.17 4.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.45 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.4 Cg_endo -74.97 -85.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.555 1.818 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.557 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.39 -55.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.382 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 87.62 148.34 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.575 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 137.61 21.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.447 1.762 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 -176.5 2.92 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -104.55 158.58 16.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.1 pp20? . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 4' ' ' SER . 3.8 m -71.94 -55.88 6.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -31.22 70.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.401 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 2.7 tp -56.31 -51.91 66.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -26.47 64.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -13.06 55.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 39' ' ' LEU . 28.0 mtm -91.34 -13.69 32.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -109.82 -100.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.44 23.4 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -129.3 -45.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.475 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.7 m-85 -37.58 142.32 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 79' ' ' THR . 0.6 OUTLIER -55.83 -25.33 41.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -140.1 61.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 10.1 ttp-105 -49.18 -47.15 46.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -59.75 -54.08 50.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.21 -42.75 77.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.614 1.196 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.475 HG21 ' CD2' ' A' ' 15' ' ' TYR . 85.7 m -64.61 -57.15 9.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 4.5 t -54.29 -43.47 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 12.9 ttt-85 -60.1 -27.96 67.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 8.3 mt-10 -78.16 -29.05 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 m -87.45 -44.9 10.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 9.5 m -51.42 -52.8 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' CG ' ' N ' ' A' ' 28' ' ' VAL . 5.1 p-10 -64.21 -46.82 82.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 2.8 t -53.7 -61.68 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' LYS . 10.3 pt -59.12 -31.5 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 12.1 m -76.39 -16.14 59.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.19 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 32' ' ' TYR . 4.5 tp -89.84 -43.17 10.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.231 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CE1' HD23 ' A' ' 31' ' ' LEU . 8.9 m-85 -99.37 -56.64 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' ILE . 1.0 OUTLIER 78.81 2.73 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -106.26 -20.75 13.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.407 ' CD1' HG21 ' A' ' 59' ' ' ILE . 1.1 tp -85.67 137.92 32.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -119.43 115.77 33.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 122.91 7.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.2 m -117.49 154.89 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' CB ' ' SD ' ' A' ' 11' ' ' MET . 1.4 tm? -106.13 115.1 29.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.22 152.92 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -153.51 109.19 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.595 1.184 . . . . 0.0 109.985 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.1 t80 -143.31 168.52 19.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.447 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 13.8 m -83.88 141.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.4 m-85 -145.6 -65.15 0.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -52.93 97.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t70 50.11 25.85 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.28 55.09 3.15 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -128.72 121.44 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 0.735 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.76 140.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' HG2' ' N ' ' A' ' 51' ' ' GLU . 7.4 ttm180 -146.2 135.94 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 1.1 tt0 -97.23 143.34 28.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.534 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -174.33 146.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.446 ' N ' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -90.98 134.84 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.414 ' CG ' ' N ' ' A' ' 55' ' ' LEU . 4.6 t30 -116.82 157.95 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' N ' ' CG ' ' A' ' 54' ' ' ASN . 1.2 mm? -114.69 139.38 49.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -146.94 157.15 43.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.79 -165.47 25.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.2 p -126.22 133.66 51.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.407 HG21 ' CD1' ' A' ' 35' ' ' LEU . 39.4 pt -106.42 149.39 38.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.59 3.83 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.437 1.757 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.77 109.76 59.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.04 40.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.92 -149.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -21.84 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 66' ' ' ASN . . . 176.23 37.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.417 ' CG ' ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -164.26 135.72 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.4 m -111.04 103.03 11.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.3 m-85 -88.04 -165.24 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.67 117.73 19.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.87 149.73 40.38 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.394 1.059 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.409 ' CB ' ' O ' ' A' ' 90' ' ' LYS . 18.3 Cg_endo -75.06 150.42 37.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mm -143.03 138.79 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.473 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 12.1 t -140.35 125.73 18.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.495 ' CD1' ' SG ' ' A' ' 87' ' ' CYS . 4.0 mm? -134.86 125.41 26.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -93.18 84.29 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -70.39 102.78 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.96 -176.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.453 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 113.29 3.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.4 ' HA ' ' CD1' ' A' ' 114' ' ' LEU . 18.1 Cg_endo -75.01 -43.88 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.446 1.761 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.59 104.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 61.4 m -138.51 116.49 11.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 108.381 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 73' ' ' CYS . 13.8 p90 -159.95 173.19 16.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.26 154.52 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 9.8 mmtt -118.63 85.23 26.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 177.74 8.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.437 1.756 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.6 p -97.37 -163.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.91 -37.47 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -11.41 60.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.177 . . . . 0.0 109.95 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.1 mtt -71.14 -173.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.073 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.9 m -152.68 103.85 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.5 144.4 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -119.81 100.89 7.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 24.0 p -66.1 139.28 58.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.4 -148.3 6.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -89.31 50.08 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 0.802 . . . . 0.0 109.259 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.423 ' CD2' HG13 ' A' ' 134' ' ' VAL . 6.0 m170 -164.44 -55.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.614 1.196 . . . . 0.0 109.59 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.6 t -112.49 151.31 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.8 OUTLIER -94.85 -54.77 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 172.6 -39.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.63 -6.45 44.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.83 26.1 46.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -106.58 121.92 45.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.1 mt -57.03 129.05 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.533 ' CG ' ' O ' ' A' ' 110' ' ' TYR . 75.2 t80 -128.7 47.28 2.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 102' ' ' HIS . 1.7 mm? -123.29 160.01 52.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.4 3.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.779 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CE2' HG22 ' A' ' 134' ' ' VAL . 2.8 m-85 -101.32 -42.49 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -77.6 -38.48 48.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.76 44.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -125.03 -76.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.471 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 5.0 t90 -66.76 -83.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.534 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.1 tttt 41.19 49.52 3.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.988 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -55.9 -44.68 99.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.988 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.99 -50.64 0.18 OUTLIER 'Cis proline' 0 C--N 1.361 1.215 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.982 -0.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 17.5 tp60 62.8 -65.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 120' ' ' PRO . 2.9 t -47.43 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.9 169.66 15.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.4 mp -40.53 -44.22 2.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.46 ' CD1' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -52.39 -62.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.15 -37.63 59.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.0 tt -64.36 -58.27 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.427 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 5.6 mt -61.22 -34.62 61.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -54.72 -46.13 74.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.54 -47.3 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 18.6 ttm -59.49 -38.82 81.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 23.0 mt -61.27 -33.52 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.0 t -80.1 -39.17 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.517 HG22 ' CE2' ' A' ' 113' ' ' TYR . 88.4 t -69.16 -36.6 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 4.9 m-85 -110.23 33.25 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -121.45 -42.4 0.46 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.536 1.147 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -69.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 0.716 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -84.96 155.78 60.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.404 1.065 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.21 3.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.557 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.4 Cg_endo -74.97 -28.52 9.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.439 1.758 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.1 p -170.19 59.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -56.06 137.08 51.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.596 1.185 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.1 t -103.28 174.22 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.419 ' N ' ' OG ' ' A' ' 143' ' ' SER . 1.5 ptt85 -62.09 155.98 61.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.953 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -52.25 151.27 7.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.465 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.99 -84.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.542 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 76.14 -55.81 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.408 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.75 151.5 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . 0.508 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.06 139.73 24.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.573 1.828 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.01 163.75 34.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.43 -15.21 18.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.431 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -38.65 -28.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.4 t -68.66 -53.3 23.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -79.81 -25.39 40.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.551 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.31 -34.47 77.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.5 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 7.5 ttmt -73.49 -29.52 62.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -21.6 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.7 mtp -67.24 -13.18 61.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.545 HG11 ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -114.4 -90.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.584 1.178 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 45.3 t 67.28 -60.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' VAL . 13.3 tttt -86.52 54.06 3.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.545 ' CE1' HG11 ' A' ' 12' ' ' VAL . 1.2 m-85 -125.49 127.82 47.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -39.91 -61.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -105.2 55.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -51.67 -40.4 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -70.24 -57.75 4.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -39.46 63.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -70.27 -55.24 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.451 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.477 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 3.6 t -49.68 -38.73 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -39.16 63.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -41.8 91.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.0 m -65.95 -59.43 3.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' THR . 28.2 m -55.89 -40.89 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -54.6 -47.21 73.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 t -55.96 -68.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.4 pt -52.86 -27.49 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 5.3 m -74.91 -30.22 61.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.133 . . . . 0.0 110.382 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tt -85.59 -46.75 10.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 45.1 m-85 -92.14 -67.89 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 1.3 ttpp 87.59 12.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -109.68 -22.6 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.42 174.49 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -153.75 117.77 2.71 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HA ' ' CD2' ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.05 129.15 12.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -132.75 162.7 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -116.52 148.06 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -140.88 160.23 40.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -133.46 142.88 48.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -159.17 145.33 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.523 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 3.7 m -78.63 140.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 21.9 m-85 -147.82 -55.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -56.95 87.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 17.7 t70 49.49 23.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.16 59.9 1.03 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -139.34 118.33 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 0.816 . . . . 0.0 109.949 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -38.12 141.86 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 42' ' ' TYR . 6.5 ttm180 -137.48 140.09 40.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.41 114.36 22.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' CD2' ' CD2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -133.08 141.46 48.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.0 ttp -89.03 162.66 15.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 3.0 p-10 -163.35 149.61 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 37' ' ' PRO . 28.8 mt -113.76 161.67 17.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 t -165.95 145.18 6.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.1 -171.38 36.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 p -112.11 107.47 16.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 0.725 . . . . 0.0 110.445 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.1 pt -85.2 149.48 52.7 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 114.71 4.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.49 103.89 53.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.64 41.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.38 20.96 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 71.26 75.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.286 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.89 -31.43 3.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -152.22 146.9 25.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.1 m -125.53 115.22 19.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.1 m-85 -90.18 -168.22 2.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.07 115.23 23.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.53 128.47 25.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.3 Cg_endo -74.95 166.76 28.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -164.46 174.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.3 t -173.72 116.46 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 108.31 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 1.8 pt? -135.33 165.25 25.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.577 ' CD1' HG23 ' A' ' 86' ' ' ILE . 10.7 m0 -104.01 156.26 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 108.041 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.48 110.12 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.408 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -82.74 -173.5 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.9 OUTLIER -88.34 -48.04 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' A' ' 79' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.465 ' OD1' ' CD1' ' A' ' 127' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 86' ' ' ILE . 18.1 Cg_endo -75.03 -173.7 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.577 HG23 ' CD1' ' A' ' 75' ' ' TRP . 6.1 mt 40.08 89.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 13.9 m -116.81 127.46 54.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 6.5 p90 -162.44 160.59 26.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.3 p -92.36 153.79 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.34 81.01 45.56 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.7 12.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 p -96.37 -139.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 110.465 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.72 -44.1 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.433 1.083 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -14.61 61.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.476 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 0.0 OUTLIER -77.22 -173.81 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.068 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.496 ' O ' ' CG2' ' A' ' 141' ' ' VAL . 4.9 t -152.44 130.06 11.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 98' ' ' LYS . 0.9 OUTLIER -81.37 162.75 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.454 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 3.0 tmtm? -131.18 104.26 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.8 p -78.94 138.55 38.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.85 -145.53 5.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 0.0 OUTLIER -88.99 45.48 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 11.3 m80 -163.31 -45.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.554 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.5 t -110.82 156.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.419 1.074 . . . . 0.0 109.327 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 1.7 t0 -103.77 -58.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 165.32 -30.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.61 2.54 50.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 87.38 0.11 84.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.69 120.26 24.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 23.5 mt -59.74 124.13 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -89.16 -47.35 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.08 107.8 0.64 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 59.77 5.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.3 p90 -82.81 -38.35 23.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.517 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 1.5 tt -57.81 -29.76 65.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.55 36.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.64 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -128.33 -48.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 37.4 t-105 -72.84 -81.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 107.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.522 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.5 ttpm? 37.6 40.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.974 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -54.77 -45.3 99.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.563 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.974 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.01 -48.67 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.999 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 25.1 tp60 65.02 -61.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 120' ' ' PRO . 5.1 t -49.98 162.9 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -129.76 162.43 28.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.56 -40.49 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.3 mp -64.72 -46.59 81.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.56 -31.85 77.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.051 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.465 ' CD1' ' OD1' ' A' ' 83' ' ' ASN . 3.2 tt -57.18 -60.75 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.06 -30.22 38.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -44.28 88.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.12 -45.03 96.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.5 ttm -61.96 -34.44 76.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.408 ' CD1' ' OH ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -62.36 -38.13 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.18 -34.98 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.7 t -72.5 -49.4 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.65 -1.67 47.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.66 -25.29 13.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -47.68 11.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.01 151.65 45.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 112.82 3.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -28.27 9.2 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 7.5 p -170.42 59.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 27.1 p90 -66.57 114.22 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 6.2 t -81.51 177.97 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 143' ' ' SER . 30.9 ptt180 -93.15 155.74 40.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 151.92 63.24 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 207' ' ' PRO . . . . . 0.476 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.95 -81.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 208' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 74.37 -57.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.173 . . . . 0.0 110.399 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 209' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 89.7 152.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 210' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 146.23 32.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 211' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 178.43 7.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 160.47 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 p -96.79 -22.68 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -70.67 -28.35 64.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -41.01 -41.76 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -63.59 -45.13 91.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.939 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -73.07 -22.25 60.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.247 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' MET . 1.2 tp -60.99 -62.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.26 -24.44 1.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 8' ' ' LEU . 4.3 mttt -83.81 -37.21 22.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mtp -64.28 -10.01 21.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG13 ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -117.84 -86.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t 47.55 30.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.064 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -129.39 -45.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.563 ' CE2' HG13 ' A' ' 12' ' ' VAL . 2.4 m-85 -38.61 154.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -45.87 68.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -131.56 71.85 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.56 -54.03 10.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -55.92 -56.26 22.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.232 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -36.6 62.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -69.77 -58.4 3.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.432 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 38.6 t -51.04 -34.14 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -71.11 -34.93 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.405 ' OE1' ' CD1' ' A' ' 125' ' ' LEU . 0.8 OUTLIER -73.68 -37.25 65.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.9 m -69.39 -55.16 11.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.441 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 30' ' ' THR . 16.0 m -52.65 -42.32 40.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -54.39 -47.23 72.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 125' ' ' LEU . 43.6 t -56.53 -67.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 33' ' ' LYS . 41.0 pt -54.34 -24.27 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.9 m -76.77 -19.73 57.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.46 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' A' ' 32' ' ' TYR . 1.2 tp -94.62 -37.91 11.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CE1' HD23 ' A' ' 31' ' ' LEU . 22.5 m-85 -96.38 -58.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER 82.01 1.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.19 -23.73 12.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.2 163.6 21.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.6 OUTLIER -151.28 130.07 6.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 125.43 9.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.06 157.26 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.0 143.69 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -141.82 145.84 35.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -125.66 106.66 9.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.948 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 1.9 t80 -126.76 168.36 14.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.1 m -89.74 150.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD2' ' HD2' ' A' ' 50' ' ' ARG . 52.9 m-85 -154.26 -66.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.993 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.7 m-20 -51.51 93.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' PHE . 32.0 t0 44.16 27.46 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.89 53.28 2.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -128.63 123.58 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.793 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p -43.34 136.55 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HD2' ' CD2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -149.01 137.07 20.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -71.52 132.15 44.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.24 132.26 27.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.84 168.99 10.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 4.3 p-10 -172.02 150.29 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -100.41 144.5 29.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 36' ' ' LYS . 9.8 t -151.84 153.07 33.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.45 170.76 13.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.5 p -97.97 113.01 24.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 0.769 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 60' ' ' PRO . 63.9 mt -81.07 142.13 51.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.02 91.24 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.47 114.72 51.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 159.31 41.94 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.77 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.3 -162.59 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -11.45 60.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 66' ' ' ASN . . . 179.47 36.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.408 ' O ' ' OG1' ' A' ' 67' ' ' THR . 5.3 m-80 -163.8 -177.06 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 66' ' ' ASN . 41.1 m -157.25 105.15 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.532 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 7.3 m-85 -93.26 -174.29 3.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -124.53 116.98 23.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.191 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.421 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -111.82 129.31 24.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -75.04 145.66 31.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.9 mt -152.92 143.61 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.8 t -143.22 133.1 24.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 108.271 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.42 ' CD2' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -143.89 144.33 31.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.425 ' O ' ' CB ' ' A' ' 84' ' ' PRO . 30.1 m95 -86.1 133.34 33.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 107.954 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.04 112.32 24.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mt -66.82 -173.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.557 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 2.6 p-10 -77.77 -59.32 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 79' ' ' THR . 1.7 t 179.22 39.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.553 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 3.5 t80 -157.54 149.81 17.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 80' ' ' TYR . 18.4 Cg_endo -75.0 -20.97 15.93 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.014 -0.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 81' ' ' PRO . 42.2 m-85 -163.11 -41.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -145.4 163.76 30.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.425 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.2 Cg_endo -75.04 114.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -17.72 19.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.607 1.846 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mt -85.91 90.16 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 84' ' ' PRO . 37.4 m -135.38 97.94 3.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -127.81 156.8 41.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 90' ' ' LYS . 8.3 p -84.94 145.31 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' N ' HG21 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -119.61 79.3 22.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.48 33.28 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 111.055 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 65.8 p -81.63 -150.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -16.45 12.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.62 5.87 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.06 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.0 mtt -95.63 -169.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 m -150.31 95.73 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.12 139.94 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.601 1.188 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -112.58 123.35 50.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 67.0 p -76.36 140.15 41.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -164.49 -155.82 8.59 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.92 -20.94 32.13 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.427 0.722 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.567 ' CE1' HG23 ' A' ' 134' ' ' VAL . 17.8 m-70 -94.67 -38.1 10.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.626 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 50.1 t -119.42 147.97 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.481 ' O ' ' CG2' ' A' ' 99' ' ' THR . 4.5 t0 -104.63 -54.3 2.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 179.16 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.52 -7.66 54.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.56 22.76 55.55 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.11 121.7 32.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.9 mt -60.2 130.93 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -89.57 -161.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 102' ' ' HIS . 4.8 mt 68.2 159.97 0.14 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.6 Cg_endo -74.89 -45.53 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.438 ' CZ ' HG13 ' A' ' 130' ' ' VAL . 1.1 m-85 59.94 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 112' ' ' PRO . 2.0 tp -56.83 -33.75 67.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -98.72 23.5 8.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.626 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -122.03 -71.77 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.612 ' CZ2' ' CD2' ' A' ' 119' ' ' HIS . 47.1 t-105 -68.63 -81.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.54 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 41.16 41.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.938 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -52.3 -46.02 94.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.586 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.938 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.95 -49.29 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.047 0.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.445 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.2 tm0? 62.77 -62.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.8 t -52.64 161.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 126' ' ' GLY . 67.5 m-20 -134.28 168.74 18.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.99 -42.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 28' ' ' VAL . 6.6 mp -66.87 -48.3 69.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -56.91 -36.52 73.57 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.47 -57.77 11.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.4 ' C ' ' HG2' ' A' ' 131' ' ' MET . 2.5 mp -65.86 -15.79 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -40.67 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.438 HG13 ' CZ ' ' A' ' 113' ' ' TYR . 21.2 t -61.23 -47.79 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 132' ' ' ILE . 11.7 ptp -62.86 -35.95 81.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.455 ' CD1' HG23 ' A' ' 59' ' ' ILE . 41.9 mt -65.84 -32.19 57.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 33.2 t -70.62 -35.69 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.399 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 102' ' ' HIS . 25.1 t -81.57 -41.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -73.59 -8.12 54.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -97.11 -31.81 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -77.74 -54.78 5.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 0.799 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.41 153.94 43.22 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.34 3.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.7 9.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.449 1.763 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 10.1 p -172.06 55.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -54.07 130.08 36.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' B' ' 208' ' ' THR . 0.4 OUTLIER -83.67 173.62 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.009 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.415 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -109.42 157.64 36.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.8 pt-20 -51.39 148.89 8.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.99 -89.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 80.01 -54.5 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 85.8 150.76 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.516 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.05 137.87 22.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.78 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.532 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.05 172.62 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -93.89 163.12 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 110.237 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' B' ' 212' ' ' GLU . 4.7 pt-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.1 t -53.86 -44.47 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.0 p -54.46 -59.9 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.24 -42.3 73.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -44.8 92.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -39.2 88.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.66 -50.44 70.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -63.73 -25.48 68.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.96 -12.91 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.3 mtm -97.08 15.09 23.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG1' ' HG3' ' A' ' 53' ' ' MET . 0.3 OUTLIER -143.19 -100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t 70.39 -59.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -44.75 -30.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 78' ' ' ASP . 2.2 m-85 -55.5 134.56 50.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -41.78 -51.93 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -126.47 55.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -43.39 -27.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 2.4 t70 -72.58 -58.05 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -37.35 66.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.6 m -68.03 -47.71 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 t -57.53 -45.84 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -37.33 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -74.84 -36.24 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.448 ' CG2' ' HE2' ' A' ' 53' ' ' MET . 88.0 m -70.76 -54.56 11.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' A' ' 30' ' ' THR . 33.5 m -54.69 -41.31 55.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -54.62 -49.68 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.377 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 31' ' ' LEU . 2.9 t -53.46 -67.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.414 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 35.1 pt -52.32 -27.95 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.4 m -73.43 -27.47 61.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -84.52 -35.27 23.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.518 ' CZ ' HG22 ' A' ' 128' ' ' ILE . 3.1 m-85 -84.88 -60.09 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 86.09 -8.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -113.59 -22.68 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.414 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 3.9 tp -82.93 131.01 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -115.7 144.16 32.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 132.58 15.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.763 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -124.58 151.27 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' CD2' ' HG2' ' A' ' 53' ' ' MET . 0.4 OUTLIER -120.13 147.85 44.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -152.93 141.57 20.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -107.69 110.95 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.539 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 2.3 t80 -113.32 162.51 15.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.534 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 4.8 m -103.17 136.23 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CE1' ' CD2' ' A' ' 42' ' ' TYR . 16.9 m-85 -147.41 -54.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 90.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 52.09 24.32 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.3 35.6 7.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -107.14 128.16 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.996 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -54.36 142.29 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -148.0 156.68 42.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.366 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.33 123.0 29.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 3.3 tm? -127.17 128.41 46.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.472 ' HG2' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -90.82 133.88 34.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 5.7 p-10 -144.4 164.16 31.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mt -122.13 157.88 30.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 t -156.96 159.09 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 110.365 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 134.89 -179.48 17.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 110.939 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.4 p -100.51 130.24 46.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 110.376 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.453 ' HB ' ' CE1' ' A' ' 32' ' ' TYR . 15.4 pt -100.73 147.63 33.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 94.14 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.87 116.02 65.94 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 138.69 23.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -133.17 -179.77 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.403 ' O ' ' NH1' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -68.14 -11.36 59.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.05 -40.01 1.89 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 169.08 -178.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.5 m -91.28 107.88 19.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.379 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.7 m-85 -91.03 -167.65 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -122.78 110.91 16.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.433 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -112.59 127.84 26.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -75.0 152.14 40.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.572 1.827 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 73' ' ' CYS . 2.4 mt -150.74 158.68 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 53.6 t -139.76 117.24 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.506 ' CD1' ' SG ' ' A' ' 87' ' ' CYS . 3.0 mm? -117.39 144.21 45.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -111.66 108.56 18.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 107.989 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' CD1' HD23 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -93.95 120.7 34.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.495 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -76.87 -167.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.388 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 4.3 m-20 -83.48 -54.07 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 t -177.28 58.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 0.6 OUTLIER 179.2 150.4 0.47 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.571 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 18.5 Cg_endo -75.0 -45.87 0.42 Allowed 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.022 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 81' ' ' PRO . 61.0 m-85 -162.46 32.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 174.61 165.89 0.35 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.402 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 113.69 3.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.4 mt 49.84 94.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 26.8 m -127.97 119.14 24.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.08 165.44 35.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 9.9 p -92.81 149.93 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.44 78.08 27.51 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.06 25.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.576 1.829 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 18.9 p -82.06 -140.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.07 -41.07 2.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -5.66 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.474 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.6 mtt -75.63 -170.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.4 m -151.8 96.07 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.429 HD11 ' CA ' ' A' ' 107' ' ' GLY . 1.3 tt -58.01 151.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -132.75 94.33 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 68.7 p -66.04 147.24 53.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.83 -140.16 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.83 47.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.308 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -162.35 -48.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.639 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.8 t -115.0 139.8 39.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.496 ' O ' ' CG2' ' A' ' 99' ' ' THR . 1.6 t70 -84.92 -67.53 0.79 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 172.47 39.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.05 15.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.473 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 57.78 33.94 69.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.127 . . . . 0.0 111.078 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 141.88 51.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.8 mt -63.92 134.16 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 111' ' ' LEU . 24.5 t80 -81.12 -55.86 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 110' ' ' TYR . 4.9 mt -39.78 147.51 0.34 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.3 Cg_endo -75.04 -38.03 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 112' ' ' PRO . 3.5 m-30 57.33 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER -55.1 -34.75 63.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 29.33 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.638 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -133.07 -67.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.511 ' CD1' ' HB2' ' A' ' 122' ' ' SER . 34.1 t-105 -69.27 -77.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 107.995 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.539 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 39.67 40.63 0.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.153 . . . . 0.0 109.348 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.97 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -52.63 -45.86 96.12 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.97 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.9 -48.37 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.06 -0.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 2.0 tm0? 61.39 -64.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.614 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.9 OUTLIER -54.74 155.27 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 110.037 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 126' ' ' GLY . 27.3 m-20 -133.35 170.72 15.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -46.16 -39.8 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.26 -39.92 95.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -66.43 -52.48 35.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.4 tt -43.07 -54.34 4.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.776 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.518 HG22 ' CZ ' ' A' ' 32' ' ' TYR . 1.5 mp -58.5 -36.45 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' GLY . 24.8 tt0 -63.24 -47.08 83.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.2 t -62.9 -42.17 95.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 4.9 tpp -64.19 -40.6 96.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.5 mt -57.76 -37.98 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.28 -51.59 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.8 t -50.33 -51.04 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -95.88 24.92 5.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.29 -9.2 13.46 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -105.47 -53.79 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 0.71 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 16.1 mp0 -101.92 149.84 36.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 138' ' ' GLU . 18.4 Cg_endo -75.01 -27.92 9.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 13.1 p -171.22 61.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 21.9 p90 -62.76 131.21 48.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.0 t -94.76 162.92 13.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 143' ' ' SER . 11.7 mtt180 56.81 161.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.22 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 110.953 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 111.042 -0.407 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -52.45 150.67 8.59 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.48 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.94 -87.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 79.24 -56.22 0.42 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 87.0 152.37 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.433 ' CD ' HD12 ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.07 140.7 25.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.9 -170.91 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -100.0 -146.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.3 pp20? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -100.01 6.36 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -51.27 -41.1 60.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -40.17 -44.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.11 -45.01 94.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.2 tp60 -68.42 -34.1 75.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' MET . 1.1 tp -54.5 -51.29 65.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.31 -25.17 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -80.64 -26.13 37.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.36 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.453 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 55.0 mtt -67.92 -18.43 64.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.534 HG12 ' CD2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.27 -88.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.85 -59.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.82 62.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.534 ' CD2' HG12 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -125.35 123.67 39.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HB3' ' CG2' ' A' ' 79' ' ' THR . 0.2 OUTLIER -39.85 -52.37 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.74 46.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -43.88 -31.43 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -57.29 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 tp -53.65 -40.13 65.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.4 m -64.96 -52.35 56.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 13.1 t -57.3 -36.58 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 3.4 ttt180 -65.34 -29.94 70.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.179 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -75.95 -29.02 58.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.6 m -85.93 -50.4 7.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 30' ' ' THR . 18.9 m -46.52 -54.59 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.243 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.48 ' CG ' ' N ' ' A' ' 28' ' ' VAL . 3.7 p-10 -62.05 -45.95 91.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.376 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.567 HG11 ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -53.75 -63.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.0 pt -58.16 -34.03 48.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 18.4 m -73.58 -16.35 61.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.452 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' ASN . 4.7 tp -88.1 -44.29 11.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.567 ' CE2' HG11 ' A' ' 28' ' ' VAL . 4.2 m-85 -87.74 -57.22 3.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER 83.66 -3.09 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.388 1.055 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.39 -24.09 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tp -86.79 140.2 29.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 10.4 ttmt -123.72 143.8 42.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.06 130.09 12.89 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.541 1.811 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 2.3 p -127.28 164.29 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -128.32 135.29 49.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.48 158.61 43.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -130.48 146.78 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.066 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 1.7 t80 -150.01 156.56 41.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 m -83.41 139.87 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 42' ' ' TYR . 73.5 m-85 -144.35 -67.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.062 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 98.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t0 47.74 27.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.68 50.17 3.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.6 p -114.89 113.1 23.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -62.88 133.06 54.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' CZ ' HD11 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -144.59 148.87 34.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.69 139.24 51.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.533 ' HB3' ' CZ3' ' A' ' 75' ' ' TRP . 0.2 OUTLIER -150.2 129.16 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.469 ' CG ' HG11 ' A' ' 12' ' ' VAL . 3.5 mmm -60.83 158.55 12.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 55' ' ' LEU . 9.0 t30 -167.99 152.93 6.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.418 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 1.4 mt -118.65 155.8 30.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.7 t -158.2 150.12 21.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.3 171.83 16.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -102.64 99.11 9.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.741 . . . . 0.0 110.437 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 pt -69.43 149.27 97.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 90.1 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.86 114.03 28.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.7 41.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.782 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -128.26 -172.57 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -63.0 -12.41 25.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.08 42.26 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -169.37 -179.31 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 0.806 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.6 m -154.45 107.26 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 4.2 m-85 -97.68 -172.82 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -123.16 115.79 22.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.441 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -115.25 127.09 27.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.437 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.5 Cg_endo -75.0 145.68 31.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 73' ' ' CYS . 2.7 mt -152.65 161.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 1.1 m -141.89 125.91 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 108.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -129.74 132.6 46.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.533 ' CZ3' ' HB3' ' A' ' 52' ' ' LEU . 10.4 m95 -95.11 152.67 18.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 124' ' ' LEU . 1.2 mp -140.24 135.9 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -94.5 -169.38 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.551 ' O ' ' CG2' ' A' ' 79' ' ' THR . 8.4 p30 -81.96 -51.39 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.551 ' CG2' ' O ' ' A' ' 78' ' ' ASP . 7.5 p -160.47 -39.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.517 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 1.5 m-85 -103.7 168.7 8.29 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.606 ' O ' ' CD2' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.04 -23.22 12.94 Favored 'Cis proline' 0 C--N 1.359 1.089 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.976 0.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER 164.38 72.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 69.19 111.1 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.23 3.57 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.413 1.744 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.1 mt -111.05 85.16 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.75 125.08 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.528 1.143 . . . . 0.0 108.259 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 2.5 p90 -153.78 148.89 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 8.7 p -90.08 151.25 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -123.0 76.39 50.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.38 24.93 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.5 1.789 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.418 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 82.0 p -84.42 -164.03 0.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.44 -16.84 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -97.66 -2.24 41.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.434 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.8 mtt -81.29 -166.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.6 m -150.13 108.04 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.415 ' CD1' ' HA2' ' A' ' 107' ' ' GLY . 1.2 tt -76.3 146.35 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -118.24 99.58 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.6 p -72.26 149.85 44.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.32 -138.24 5.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -92.42 47.07 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.528 ' CD2' ' CG1' ' A' ' 134' ' ' VAL . 12.4 m80 -157.71 -46.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.61 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.5 t -117.98 177.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 1.0 OUTLIER -119.04 -55.04 2.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 168.8 -38.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.64 1.88 52.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.415 ' HA2' ' CD1' ' A' ' 97' ' ' ILE . . . 96.07 -20.85 48.22 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 128.78 35.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.29 126.16 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -142.53 93.86 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -172.62 161.01 4.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 90.74 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.552 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -144.86 -52.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.26 -26.71 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 38.45 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.561 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.0 -66.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.51 ' CH2' ' CE1' ' A' ' 119' ' ' HIS . 30.6 t-105 -65.21 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.516 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER 43.42 41.05 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.943 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.6 -45.99 98.42 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.545 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.943 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -75.01 -46.36 0.38 Allowed 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.053 -0.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 26.4 tp60 61.94 -67.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 120' ' ' PRO . 6.2 t -41.89 162.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 124' ' ' LEU . 4.8 m-20 -133.52 170.33 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 76' ' ' LEU . 2.0 mm? -39.46 -53.02 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.44 ' CD1' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -53.33 -54.49 35.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.48 -41.43 80.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.562 1.164 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.18 -55.75 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.501 ' CG2' ' OH ' ' A' ' 32' ' ' TYR . 1.7 mt -62.78 -35.14 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.92 -46.81 88.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.336 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.482 ' CG1' ' CE1' ' A' ' 113' ' ' TYR . 2.9 t -66.65 -40.44 86.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.6 ttm -68.07 -36.38 79.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.402 HD11 ' CG2' ' A' ' 128' ' ' ILE . 11.0 mt -62.73 -35.2 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 30.8 t -77.39 -33.27 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.528 ' CG1' ' CD2' ' A' ' 102' ' ' HIS . 38.6 t -74.28 -46.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.03 -4.31 56.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.97 -48.55 2.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -31.23 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -123.88 146.52 51.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 113.9 3.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.441 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 18.3 Cg_endo -75.0 -27.74 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.6 p -172.96 57.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.471 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 21.5 p90 -56.38 125.94 24.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -81.16 173.37 12.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.019 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.412 ' N ' ' OG ' ' A' ' 143' ' ' SER . 1.1 ptt85 -120.33 147.99 46.39 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 111.042 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.2 pt-20 -49.14 149.0 3.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' B' ' 208' ' ' THR . 18.2 Cg_endo -75.03 -88.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 79.65 -54.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.444 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.68 150.66 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.03 134.27 17.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.99 170.59 20.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.808 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.0 OUTLIER -93.66 158.68 15.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 4' ' ' SER . 8.0 p -94.31 -51.57 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.422 ' N ' ' CG1' ' A' ' 3' ' ' VAL . 85.8 p -92.62 -60.22 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -38.86 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.238 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.75 -49.42 77.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.045 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -44.04 91.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.356 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -57.75 -50.55 72.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -63.74 -29.71 70.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -76.79 -12.82 60.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.408 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 35.7 mtp -94.08 -5.58 47.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -128.83 -103.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER 84.59 -47.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -110.28 63.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CD1' ' OD1' ' A' ' 78' ' ' ASP . 0.6 OUTLIER -122.45 142.37 50.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -39.33 -53.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.444 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 94.2 m-85 -136.56 71.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 7.4 mtm180 -42.95 -37.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -71.52 -58.17 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 11.7 tp -52.87 -37.33 60.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.228 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.436 HG23 ' CD2' ' A' ' 15' ' ' TYR . 91.3 m -69.02 -51.36 39.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 18' ' ' ARG . 41.4 t -55.39 -47.95 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -59.96 -43.31 95.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -38.04 89.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.5 m -73.12 -62.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 30' ' ' THR . 14.5 m -48.04 -44.55 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -55.24 -48.82 73.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 t -56.17 -66.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 43.5 pt -54.31 -21.64 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.1 m -81.67 -19.76 40.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.87 -49.36 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CE2' HG23 ' A' ' 128' ' ' ILE . 26.5 m-85 -85.51 -61.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 7.3 ttmt 87.36 -8.3 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.424 1.077 . . . . 0.0 109.354 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.43 -22.88 19.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.377 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tp -88.2 170.19 11.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.61 142.9 10.47 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 122.12 7.04 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 2.2 p -122.91 165.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.459 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -116.74 154.98 29.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' HD12 ' A' ' 39' ' ' LEU . 1.5 p30 -147.52 142.65 27.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -113.32 83.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -107.54 148.07 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.041 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 49' ' ' SER . 10.2 m -86.65 143.71 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 42.5 m-85 -144.48 -65.06 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.6 m-80 -57.57 98.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 45.63 26.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 88.27 55.44 2.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 t -122.82 109.32 14.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.42 ' N ' HG11 ' A' ' 43' ' ' VAL . 16.1 m -42.57 144.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -146.03 136.45 23.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -81.25 72.76 8.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.228 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.4 tt -76.57 133.79 39.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -81.2 107.51 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 4.8 p-10 -109.29 167.14 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.2 152.97 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 t -139.89 178.53 7.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.73 176.2 15.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.573 1.17 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.3 p -121.3 108.56 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 pt -74.97 152.09 86.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.591 1.837 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 t -105.42 110.04 63.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.36 42.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.79 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.445 ' CB ' ' OD1' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -125.31 -147.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -13.56 59.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.439 ' C ' ' ND2' ' A' ' 66' ' ' ASN . . . 179.72 54.21 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.445 ' OD1' ' CB ' ' A' ' 63' ' ' TYR . 0.9 OUTLIER 171.42 174.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.0 m -143.26 108.2 4.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.532 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 1.7 m-85 -87.0 -166.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -128.61 111.35 13.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CD1' ' HB2' ' B' ' 209' ' ' ALA . 0.0 OUTLIER -109.39 130.95 22.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 160.89 39.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.524 1.802 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -145.62 -176.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 53.1 t -166.97 114.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -110.44 150.52 28.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -112.07 68.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 108.052 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 53' ' ' MET . 0.6 OUTLIER -50.73 112.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.11 -171.29 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.571 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 1.6 m-20 -83.42 -58.7 2.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.588 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 9.4 t -170.07 59.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 79' ' ' THR . 55.9 m-85 -159.11 155.65 24.62 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.0 Cg_endo -75.06 -44.69 0.53 Allowed 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.018 -2.492 . . . . 0.0 110.923 0.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.556 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 26.4 m-85 -115.04 -15.0 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.627 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER 152.11 -45.55 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.251 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 113.34 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.583 1.833 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.403 1.739 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 87' ' ' CYS . 3.6 mt -81.45 146.0 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.455 ' HB3' ' CE ' ' A' ' 131' ' ' MET . 37.7 m -110.22 127.06 54.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 108.345 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 2.4 m-85 -139.92 170.56 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 9.9 p -134.86 145.32 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -122.02 78.0 41.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 164.47 33.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.477 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 82.5 p -84.34 -167.86 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.4 m -88.94 -38.56 14.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -17.02 61.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.6 mtt -70.57 179.22 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.3 m -155.04 99.86 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.6 mt -45.86 150.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -116.71 74.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 67.3 p -60.23 139.11 57.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 172.4 -134.45 3.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.561 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -91.04 47.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.561 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 16.9 m170 -165.04 -59.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.671 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.6 t -101.36 161.59 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.429 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.7 OUTLIER -105.73 -66.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.364 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 169.88 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.15 -25.39 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.494 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 113.17 0.99 25.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 7.0 ttpt -99.37 131.41 45.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 87' ' ' CYS . 2.7 mp -56.62 133.78 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 110' ' ' TYR . 18.5 t80 -109.99 82.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 110' ' ' TYR . 4.9 mp -157.71 152.97 21.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 47.28 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -46.75 -35.9 6.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -79.17 -43.68 23.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.5 37.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -126.82 -84.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.436 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 25.7 t-105 -69.08 -81.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.49 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 12.1 ttpp 47.34 43.36 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.952 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.95 -45.86 99.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.542 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.952 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.95 -43.92 0.63 Allowed 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.064 -0.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 10.4 tm0? 57.6 -74.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 120' ' ' PRO . 3.6 t -36.96 145.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 126' ' ' GLY . 16.2 m-20 -127.43 169.6 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 123' ' ' ASP . 0.9 OUTLIER -39.61 -46.41 1.79 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.22 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.8 -49.74 69.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -59.73 -30.75 69.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 tt -59.93 -58.2 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.527 HG23 ' CE2' ' A' ' 32' ' ' TYR . 2.5 mt -58.39 -23.7 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -41.68 71.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.39 -41.76 91.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.455 ' CE ' ' HB3' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -67.64 -38.7 84.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 111.024 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 43.2 mt -59.99 -31.38 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.2 t -79.88 -42.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.69 -47.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.696 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 5.5 m-85 -90.62 26.08 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.57 -35.51 0.91 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.71 -70.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.98 166.62 13.11 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.25 3.75 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.696 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.99 -28.99 8.7 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.443 1.76 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 11.9 p -170.45 60.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -57.28 136.19 56.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.0 t -98.38 171.53 8.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -93.11 156.29 40.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.937 -0.447 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 pt-20 -50.85 151.98 3.95 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.477 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.6 Cg_endo -74.92 -89.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.447 1.762 . . . . 0.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.556 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.88 -56.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 87.57 150.74 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.532 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 136.71 20.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.94 176.62 9.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -111.32 168.51 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' B' ' 212' ' ' GLU . 2.0 pp20? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.2 t -108.19 -41.54 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.394 1.059 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -58.89 -20.82 55.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -39.26 -44.67 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -47.43 85.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -71.53 -29.48 64.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 1.7 tp -55.24 -43.09 74.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -60.14 -24.82 65.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -26.29 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.472 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 67.8 mtt -66.88 -15.99 64.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG13 ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.51 -87.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 t 41.92 28.49 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.119 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 12' ' ' VAL . 2.3 ttmt -151.95 -45.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.514 ' CD1' HG13 ' A' ' 12' ' ' VAL . 3.2 m-30 -36.7 132.99 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.167 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 79' ' ' THR . 0.0 OUTLIER -40.29 -54.01 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -108.12 57.59 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -51.46 -47.2 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.84 -56.17 24.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -56.88 -32.08 65.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.21 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.4 m -73.38 -50.76 20.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 43.9 t -60.87 -32.62 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 2.7 ttm180 -76.64 -30.18 56.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.79 -43.35 25.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 m -65.82 -45.01 83.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' THR . 35.6 m -64.26 -41.5 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' LEU . 3.7 m-20 -51.95 -47.0 64.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.2 t -56.77 -69.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.1 pt -53.82 -20.59 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 7.7 m -84.26 -23.85 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' ASN . 3.8 tp -91.51 -50.45 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -95.74 -56.17 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 76.96 17.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.71 -24.05 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.41 169.53 17.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.361 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.83 115.48 3.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.64 6.16 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -120.65 164.16 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.504 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -115.04 140.64 48.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -127.13 159.06 35.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -141.25 120.88 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.064 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -140.84 149.79 42.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 m -80.36 145.51 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.363 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -149.9 -66.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 47' ' ' GLY . 3.7 m-20 -50.74 97.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t0 43.99 27.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 89.08 51.02 3.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -125.49 128.22 47.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p -40.57 151.92 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.23 149.07 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.24 119.45 35.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.32 136.96 32.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.45 ' SD ' ' CD1' ' A' ' 8' ' ' LEU . 4.6 ttp -88.22 174.23 8.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -171.96 145.87 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -103.37 148.44 25.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 t -157.03 135.26 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.62 -171.84 43.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.3 p -119.44 100.91 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.345 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.7 pt -80.17 147.6 65.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.15 2.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.438 1.757 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 t -91.13 113.07 57.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 156.53 42.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -127.34 -149.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -12.03 59.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.22 35.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -163.7 -177.53 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.0 m -156.28 104.46 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.434 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.3 m-85 -92.27 -165.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.5 122.1 30.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.584 1.177 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -114.45 135.0 22.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' CB ' ' O ' ' A' ' 90' ' ' LYS . 18.5 Cg_endo -74.97 146.09 32.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.1 mm -135.25 151.86 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.404 ' HB2' ' CG ' ' A' ' 90' ' ' LYS . 21.4 t -160.6 106.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.282 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -138.22 164.54 28.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.576 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 12.3 m95 -99.71 160.77 14.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.185 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -129.45 98.55 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.96 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 79' ' ' THR . 0.5 OUTLIER -92.5 -41.87 10.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 165.08 60.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER 175.95 142.86 0.22 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 110.921 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.569 ' HA ' ' CD1' ' A' ' 80' ' ' TYR . 18.5 Cg_endo -74.95 -36.51 2.57 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.995 -0.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 81' ' ' PRO . 17.2 m-85 -148.88 -44.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -145.96 151.42 45.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 113.33 3.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -14.03 21.34 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.576 ' CG2' ' CD1' ' A' ' 75' ' ' TRP . 3.0 mm -76.32 105.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.8 m -138.81 114.29 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 108.212 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 86' ' ' ILE . 12.3 m-85 -123.93 171.54 9.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 11.9 p -115.93 161.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 5.6 mmmt -125.8 74.33 70.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 174.93 11.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 p -110.01 -160.95 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.132 . . . . 0.0 110.432 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.5 p -96.54 -25.34 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -89.6 -5.03 57.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.956 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.6 mtt -82.6 -174.2 5.06 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.5 m -156.5 105.63 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.85 134.75 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -120.46 102.27 8.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 p -84.21 140.24 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.396 1.06 . . . . 0.0 110.35 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 101' ' ' LYS . . . 175.23 56.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 0.1 OUTLIER 79.75 -50.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -65.08 -36.17 83.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.628 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.19 153.39 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.5 OUTLIER -91.44 -66.89 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 163.92 -31.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -83.35 -7.51 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.414 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 99.84 15.05 32.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -109.61 134.03 52.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.38 138.16 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.412 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 29.2 t80 -113.61 65.74 0.66 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.9 mt -144.04 142.78 20.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.227 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.29 2.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.404 1.739 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -41.4 -49.46 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.6 tp -69.33 -39.24 78.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.5 37.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.528 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -130.01 -86.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.495 ' CD1' ' HB2' ' A' ' 122' ' ' SER . 36.4 t-105 -71.64 -79.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 107.986 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.538 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.1 pttt 39.54 39.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.954 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -53.52 -45.62 98.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.62 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.954 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.07 -47.53 0.31 Allowed 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.015 0.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.6 tp-100 62.42 -63.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -54.95 158.49 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 126' ' ' GLY . 2.2 p-10 -132.75 174.44 10.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' ASP . 0.5 OUTLIER -40.16 -42.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.378 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -59.36 -52.34 66.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -64.77 -37.1 93.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 8.6 tt -48.63 -56.36 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.08 -31.86 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -54.97 -45.88 75.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.2 t -62.13 -47.4 93.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 42.2 ttm -60.06 -41.94 93.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.3 mt -58.24 -36.68 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.72 -40.56 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.23 -49.91 76.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 140' ' ' PRO . 2.1 m-30 -88.83 19.44 4.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -113.61 -40.41 1.02 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.424 1.077 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -61.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -104.8 161.15 23.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.25 3.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.567 1.825 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.552 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.97 -23.23 14.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 7.2 p -176.19 63.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 142' ' ' PHE . 2.1 p90 -58.25 139.36 55.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 1.9 t -105.59 176.05 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.455 ' CD ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -83.63 168.78 20.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.455 ' HD2' ' CD ' ' A' ' 144' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -57.37 151.24 39.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.464 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.97 -84.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.538 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.78 -56.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.431 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.98 152.52 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.448 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.93 136.17 20.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 167.81 26.23 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.3 OUTLIER -93.13 148.31 22.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.7 t -69.49 -45.92 77.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.0 p -56.19 -58.01 9.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -50.62 -45.56 57.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -63.13 -53.13 58.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.07 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.81 -28.13 67.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' MET . 1.2 tp -63.71 -43.39 96.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HD2' ' CZ ' ' A' ' 18' ' ' ARG . 5.3 ttpp -62.02 -31.04 71.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -84.43 -12.02 55.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.35 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.452 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 7.7 mtm -85.78 -10.21 55.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.18 -98.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.8 m 58.26 16.64 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.046 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -123.26 14.68 9.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -110.29 154.31 23.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -59.45 5.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' THR . 5.2 m-85 -108.56 69.49 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' CZ ' ' HD2' ' A' ' 9' ' ' LYS . 50.6 ttp180 -51.58 -43.42 62.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.199 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -58.01 8.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -57.04 -30.22 64.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' TYR . 44.8 m -71.18 -47.84 55.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.368 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.5 t -69.66 -41.37 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -68.03 -30.46 69.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 20' ' ' LEU . 26.8 tt0 -78.4 -38.07 42.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.9 m -69.56 -48.85 58.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.482 ' O ' ' CB ' ' A' ' 30' ' ' THR . 27.7 m -60.56 -37.81 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -58.18 -42.2 85.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.32 -66.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' LYS . 3.8 pt -55.57 -26.64 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.8 m -68.67 -27.58 66.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tp -89.19 -48.12 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.497 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 37.7 m-85 -86.52 -65.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 3.5 ttpp 88.27 9.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -110.46 -22.96 11.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 1.6 mp -73.76 124.21 25.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -110.08 119.33 47.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.226 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 129.21 12.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.95 154.34 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' HB2' ' CE ' ' A' ' 11' ' ' MET . 0.3 OUTLIER -118.38 131.61 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 41' ' ' SER . 13.9 t0 -154.39 148.68 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 7.8 t -117.25 139.99 50.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.7 t80 -135.99 153.66 51.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 m -77.99 139.41 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 26.5 m-85 -144.25 -64.78 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -54.4 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.362 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' PHE . 19.0 t0 50.23 24.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.73 55.52 1.88 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 t -126.49 116.12 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.047 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.5 p -41.88 140.78 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -147.57 136.16 21.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -76.2 117.5 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.342 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -133.44 149.94 51.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.407 ' HG2' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -95.12 158.34 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 4.1 p-10 -162.12 148.88 13.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 mt -115.24 152.5 32.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 56' ' ' THR . 0.7 OUTLIER -160.27 117.33 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 110.499 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.18 -179.74 34.22 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 p -110.2 103.49 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.736 . . . . 0.0 110.365 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.469 ' CG1' ' HD2' ' A' ' 60' ' ' PRO . 2.4 tt -82.83 142.95 45.7 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 59' ' ' ILE . 17.9 Cg_endo -75.13 114.6 4.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.57 112.97 65.88 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.22 42.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -133.88 16.21 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 2.9 ttt85 78.12 53.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.67 -31.69 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -139.69 131.52 27.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.3 m -113.58 101.33 9.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.536 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 6.9 m-85 -76.34 -172.63 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -123.31 114.84 20.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.424 HD11 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -113.39 130.95 23.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' B' ' 207' ' ' PRO . 18.0 Cg_endo -75.09 168.55 24.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.55 160.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.549 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 12.3 t -158.6 118.38 3.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 108.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -138.46 159.22 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -105.81 158.61 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 4.9 tp -123.76 142.64 50.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.41 177.88 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -69.96 -63.71 1.03 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 79' ' ' THR . 1.7 t -176.01 39.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.451 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.493 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 43.6 p90 -164.15 155.16 13.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.545 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -75.03 -14.97 22.86 Favored 'Cis proline' 0 C--N 1.361 1.223 0 C-N-CA 120.924 -2.532 . . . . 0.0 110.983 -0.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 164.89 87.63 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 4.6 t-20 77.58 141.77 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 113.0 3.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.819 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -19.61 17.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.6 mm -69.08 91.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 36.4 m -132.15 102.17 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 5.4 p90 -133.25 155.98 48.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 90' ' ' LYS . 13.6 p -90.7 149.86 3.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.418 ' N ' HG21 ' A' ' 89' ' ' VAL . 0.4 OUTLIER -119.78 79.52 23.72 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -172.59 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.7 p -103.38 -145.65 0.37 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -109.5 -42.81 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.79 -7.99 51.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.3 mtt -74.33 -175.7 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 m -148.3 94.66 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.471 HD13 ' CA ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -52.09 156.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.7 102.1 7.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 59.1 p -86.19 145.17 27.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.05 -135.34 3.78 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.41 46.1 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.563 ' CD2' HD13 ' A' ' 111' ' ' LEU . 6.8 m170 -161.78 -44.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.661 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -131.41 155.25 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.368 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.2 OUTLIER -98.64 -68.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 175.94 35.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.37 17.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.471 ' CA ' HD13 ' A' ' 97' ' ' ILE . . . 69.31 4.64 45.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.571 1.169 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 139.7 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.1 mt -79.49 125.46 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 111' ' ' LEU . 79.9 t80 -85.32 -56.59 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 102' ' ' HIS . 11.7 mt -39.64 120.77 1.41 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.98 4.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' A' ' 111' ' ' LEU . 7.6 m-85 -58.85 -31.15 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.9 -35.86 67.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 115' ' ' HIS . 15.2 t-80 -91.56 34.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.571 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.68 -66.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 40.0 t-105 -65.31 -78.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.538 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.6 ptmm? 38.81 39.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.953 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -53.24 -45.71 98.21 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.638 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.953 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.98 -47.82 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.056 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.2 tp-100 62.64 -62.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.6 t -53.68 167.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.047 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -134.09 -179.43 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 76' ' ' LEU . 3.1 tp -59.08 -41.69 88.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.48 -56.48 10.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.17 -48.13 85.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 tt -47.16 -54.05 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.443 HG23 ' CE2' ' A' ' 32' ' ' TYR . 72.9 mt -59.03 -33.17 49.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -58.04 -35.44 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.08 -45.47 83.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 8.8 ttm -59.9 -32.12 70.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 59' ' ' ILE . 1.4 mp -68.89 -41.43 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.4 t -72.14 -32.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 25.1 t -72.86 -46.32 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.412 ' CG ' ' HG3' ' A' ' 140' ' ' PRO . 3.7 m-30 -76.82 -3.62 39.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -96.42 -29.54 8.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.115 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.88 -41.84 28.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.32 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 146.91 54.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 110.287 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 113.12 3.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.412 ' HG3' ' CG ' ' A' ' 135' ' ' PHE . 18.2 Cg_endo -75.04 -23.31 13.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 13.8 p -174.7 63.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -65.28 126.78 29.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.5 t -84.95 164.14 18.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 59.72 114.83 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.097 -0.386 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -64.18 149.59 93.92 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.473 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.7 Cg_endo -74.92 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.401 1.738 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.525 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 76.81 -54.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.37 149.93 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.521 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 142.25 27.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.446 1.761 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.536 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 -170.39 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.79 152.83 37.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.42 -22.29 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -88.55 -23.54 23.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -38.77 -31.23 0.06 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -61.79 -55.41 30.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -66.07 -37.13 85.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.3 OUTLIER -55.96 -57.57 11.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -26.72 2.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -81.79 -32.63 31.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -73.47 -11.27 60.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -114.89 -93.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 1.4 t 85.68 -57.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.057 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -125.2 69.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 53' ' ' MET . 5.2 t80 -155.82 120.11 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' CA ' ' O ' ' A' ' 78' ' ' ASP . 14.6 tttt 42.77 32.65 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 20' ' ' LEU . 43.9 m-85 55.1 85.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.49 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 2.3 ptt180 -42.31 -31.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -68.31 -47.03 68.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' TYR . 2.3 mm? -73.42 -31.86 64.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.3 m -74.92 -59.23 2.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 18' ' ' ARG . 78.6 t -51.24 -35.42 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -71.85 -36.07 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.62 -40.1 43.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -64.51 -52.36 58.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 30' ' ' THR . 29.2 m -58.04 -43.8 85.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -58.18 -41.26 83.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.79 -66.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' LYS . 18.2 pt -55.53 -26.54 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.8 m -70.67 -25.97 63.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 tp -87.96 -48.27 7.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.453 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 12.8 m-85 -93.42 -61.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 83.9 5.79 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.27 -21.5 13.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.65 153.07 29.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -129.87 123.07 20.79 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.37 5.62 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 1.5 p -119.02 163.95 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.462 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -132.42 179.1 6.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' OD1' ' CH2' ' A' ' 75' ' ' TRP . 16.4 p-10 -179.08 150.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.21 105.93 12.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -118.73 149.26 41.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -78.74 140.58 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -146.07 -59.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' GLY . 36.6 m-20 -55.7 94.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 t70 43.03 28.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.16 63.8 1.25 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.533 1.145 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.37 116.87 10.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 109.977 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 p -40.32 138.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.936 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -143.78 135.54 26.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 2.1 mp0 -76.3 108.47 9.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 tt -118.06 140.09 50.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.578 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . 4.3 mtp -102.01 138.7 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.573 ' HB3' ' CE3' ' A' ' 75' ' ' TRP . 6.9 p-10 -132.79 162.74 30.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -119.32 152.96 35.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -160.37 166.49 29.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 110.368 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 134.78 -178.92 18.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.572 1.17 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 p -114.49 120.46 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 0.804 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 60' ' ' PRO . 79.8 mt -89.13 142.53 30.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.07 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.39 115.1 56.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.02 42.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -130.57 -148.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 53.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.25 13.61 7.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -147.31 175.77 10.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 0.795 . . . . 0.0 109.253 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.8 m -156.49 107.45 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.449 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.532 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 6.3 m-85 -95.46 -174.93 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -118.0 122.12 42.4 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.581 1.176 . . . . 0.0 109.22 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.47 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -116.34 127.74 26.53 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.516 ' O ' ' CG1' ' A' ' 72' ' ' ILE . 18.3 Cg_endo -74.96 154.68 42.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 71' ' ' PRO . 12.7 mt -157.46 147.62 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 7.1 t -128.43 131.84 48.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD1' ' SG ' ' A' ' 87' ' ' CYS . 4.1 mm? -125.59 131.96 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' A' ' 54' ' ' ASN . 19.5 m95 -102.88 97.64 7.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mp -72.9 134.62 44.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.557 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -80.39 -165.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -99.64 -43.28 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.5 OUTLIER 173.18 55.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.514 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER 175.34 142.51 0.21 Allowed Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.536 1.147 . . . . 0.0 111.047 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -75.08 -30.71 5.82 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.952 0.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 10.1 m-85 -166.11 -40.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.12 170.15 11.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.404 ' HD2' ' CD1' ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.98 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.11 6.57 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.9 mt -82.33 106.93 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 17.3 m -140.2 110.71 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.283 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 3.0 p90 -141.38 174.38 10.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.6 p -105.7 149.1 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' CG ' ' HB2' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -117.56 80.22 13.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.29 14.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.482 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 77.1 p -90.75 -135.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.3 -43.35 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -10.73 60.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.6 mtt -69.09 -178.28 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.1 m -145.45 105.06 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.27 144.78 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.224 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.32 89.02 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.3 p -65.52 144.02 57.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 174.46 -138.65 4.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -92.39 39.91 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.77 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -151.67 -46.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.9 t -117.62 168.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -108.93 -63.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 177.38 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -87.48 11.1 15.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.63 5.88 89.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -77.93 129.12 34.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.761 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 30.6 mt -57.52 130.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -93.33 49.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.0 mt -147.14 156.74 46.73 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.3 Cg_endo -75.06 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.581 1.832 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.468 ' CZ ' HG11 ' A' ' 130' ' ' VAL . 1.1 m-85 60.72 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -61.81 -30.87 71.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -98.33 26.1 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.613 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.7 -70.96 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.486 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 37.3 t-105 -70.68 -79.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.507 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 17.8 ptmt 43.11 42.7 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.954 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -53.97 -46.01 98.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.599 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.954 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.94 -47.13 0.32 Allowed 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.042 -0.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 59.86 -68.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -48.32 160.3 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.052 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 126' ' ' GLY . 7.3 m-20 -133.57 166.65 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.8 tp -43.11 -31.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.09 -50.22 56.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -65.87 -47.45 74.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' A' ' 127' ' ' LEU . 4.3 tt -44.15 -51.34 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 64.9 mt -71.62 -27.74 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 126' ' ' GLY . 13.5 tt0 -67.23 -46.63 73.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.468 HG11 ' CZ ' ' A' ' 113' ' ' TYR . 17.2 t -59.9 -45.8 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 19.3 ttm -63.24 -41.22 99.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 36.9 mt -59.49 -27.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 73.3 t -79.44 -32.01 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.22 -35.15 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.3 m-85 -101.89 18.83 19.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -114.42 -28.69 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.27 -63.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -97.25 162.09 23.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 18.4 Cg_endo -75.02 -25.8 11.49 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.3 p -174.97 60.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -57.58 134.62 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 208' ' ' THR . 0.7 OUTLIER -91.46 170.24 10.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -131.24 98.91 18.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.43 1.753 . . . . 0.0 110.958 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.458 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.8 pt-20 -48.52 148.89 3.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.482 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.95 -89.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.427 1.751 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 78.78 -53.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.96 149.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.344 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.532 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.03 139.2 23.94 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.446 1.761 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.02 -169.43 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.14 161.2 27.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.19 -36.69 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -89.38 -43.01 11.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' SER . 18.1 tt0 -38.31 -45.27 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -51.07 71.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -66.1 -37.92 86.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 11' ' ' MET . 1.3 tp -58.9 -58.42 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -50.17 -32.59 16.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -81.83 -28.13 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.231 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' LEU . 24.6 mtp -76.6 -0.88 24.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -137.42 -93.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.8 t 50.58 24.22 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -131.62 -47.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.211 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 3.3 m-85 -37.49 144.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -55.06 -47.06 75.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.068 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -113.71 51.21 0.87 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.11 -42.81 14.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.84 -57.69 9.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.13 -34.79 66.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.6 m -71.78 -49.67 36.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.3 t -59.77 -45.38 94.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.26 -35.78 76.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -33.94 65.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.0 m -74.48 -52.02 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.358 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' ' CB ' ' A' ' 30' ' ' THR . 34.9 m -59.05 -42.35 86.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -56.05 -45.47 79.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' LEU . 40.8 t -57.71 -67.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.402 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 3.4 pt -52.89 -23.63 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.9 m -78.3 -27.73 47.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.457 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' A' ' 32' ' ' TYR . 1.5 tp -84.67 -46.68 11.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.55 ' CE1' HD22 ' A' ' 31' ' ' LEU . 32.1 m-85 -103.34 -62.56 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 2.4 ttpp 87.14 7.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.46 -13.61 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.15 150.86 27.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.01 112.39 18.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.41 6.05 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -121.16 160.65 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -121.76 121.14 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -126.65 155.35 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 11.9 t -140.81 124.19 16.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.5 t80 -129.78 165.25 22.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.503 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 8.8 m -84.72 139.96 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 23.9 m-85 -142.7 -63.76 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.37 96.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 45.35 27.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.6 52.4 2.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.588 1.18 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.34 114.91 21.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 0.741 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.9 p -45.85 133.68 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.13 140.42 37.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.57 120.44 23.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 1.5 mt -134.85 118.96 17.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -74.78 153.69 38.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' ND2' HG11 ' A' ' 38' ' ' VAL . 7.2 p-10 -154.11 156.1 36.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.4 144.42 50.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -151.59 137.05 17.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.462 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 174.79 178.57 44.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.555 1.159 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.3 p -110.42 101.64 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 110.336 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.459 HD12 ' CG1' ' A' ' 132' ' ' ILE . 15.6 pt -76.41 148.68 80.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.5 2.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 t -100.99 112.6 65.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 153.5 41.47 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.424 1.75 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -130.04 16.03 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 80.02 60.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.349 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 131.93 -27.72 3.62 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -139.89 140.65 36.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.3 m -121.6 108.7 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.539 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.6 m-85 -85.95 -166.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.01 107.19 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -105.16 127.96 27.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -74.97 153.79 42.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 111.075 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.7 mt -151.68 137.45 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 t -133.46 133.46 42.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -151.28 154.3 36.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -106.79 146.26 31.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.456 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 3.5 tp -114.4 130.12 56.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.07 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.37 -167.55 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.569 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 1.5 p-10 -80.15 -61.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 t -175.48 51.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.541 ' CD1' ' HA ' ' A' ' 81' ' ' PRO . 41.6 t80 -166.28 144.15 4.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.541 ' HA ' ' CD1' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -74.99 -27.6 8.21 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.034 -2.486 . . . . 0.0 110.973 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 172.19 36.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 165.72 161.0 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.79 16.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.423 1.749 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.9 mm -95.62 104.0 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 53.5 m -143.03 115.35 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 108.281 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.44 ' CB ' ' HA ' ' A' ' 108' ' ' LYS . 9.9 p90 -158.25 147.33 19.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.16 140.92 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 4.4 ttmt -118.01 79.7 14.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.29 4.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.537 1.809 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.0 p -97.04 -140.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.9 -37.29 3.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.051 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -77.04 -0.8 25.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.0 mtt -78.42 -167.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.3 m -153.78 83.86 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.423 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -54.72 143.32 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -124.08 115.37 21.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.214 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 4.8 p -79.24 148.04 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.37 -149.38 7.3 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.517 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 8.0 mtmt -91.94 38.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 0.811 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 40.1 m170 -144.33 -49.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.2 t -114.15 163.58 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.483 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.4 OUTLIER -95.1 -59.81 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.072 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 170.35 -35.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.63 5.95 25.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.97 11.3 79.26 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.44 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -74.98 119.04 18.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.568 HG13 ' CZ ' ' A' ' 135' ' ' PHE . 0.4 OUTLIER -64.67 125.9 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.61 122.14 17.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.461 HD12 ' CG1' ' A' ' 134' ' ' VAL . 0.2 OUTLIER -165.94 150.24 7.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 42.25 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.57 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.3 p90 -108.05 -41.74 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.066 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.57 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 4.7 tt -54.34 -51.74 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -92.81 42.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.665 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.27 -76.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 38.2 t-105 -57.93 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 107.996 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.54 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 37.58 39.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.932 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -52.45 -45.71 95.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.666 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.932 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.95 -47.09 0.32 Allowed 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.987 -0.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 7.2 tp-100 62.78 -64.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 120' ' ' PRO . 8.6 t -41.71 155.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -128.52 167.76 16.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.3 tp -43.89 -36.97 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.25 -59.28 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.31 -36.78 77.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.52 -63.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.457 ' HA ' ' CG ' ' A' ' 131' ' ' MET . 66.6 mt -58.76 -17.0 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -80.62 -41.37 24.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -49.99 81.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 128' ' ' ILE . 9.8 ptp -64.06 -33.77 76.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.459 ' CG1' HD12 ' A' ' 59' ' ' ILE . 8.3 mt -64.45 -28.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.71 -36.57 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.461 ' CG1' HD12 ' A' ' 111' ' ' LEU . 70.5 t -75.61 -49.77 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 4.6 m-85 -87.81 17.52 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -109.95 -30.14 3.55 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.64 -64.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.46 158.28 43.39 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.072 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.08 3.71 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.576 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.5 Cg_endo -74.99 -28.57 9.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.568 1.825 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 97' ' ' ILE . 6.9 p -171.33 60.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.482 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 13.9 p90 -60.2 125.34 23.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' B' ' 208' ' ' THR . 1.2 t -83.44 173.03 11.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.4 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -95.52 167.0 13.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.557 1.819 . . . . 0.0 110.972 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.825 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -62.96 148.75 91.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.475 ' CB ' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.02 -83.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.91 -54.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.467 1.104 . . . . 0.0 110.351 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.74 150.67 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.539 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 137.8 22.35 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.07 -170.93 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.3 OUTLIER -98.31 -145.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 p -108.33 -6.97 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -76.15 -11.98 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' SER . 1.1 pt-20 -35.68 -36.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -62.02 -57.94 9.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.16 . . . . 0.0 110.043 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.5 OUTLIER -72.32 -27.1 62.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.188 . . . . 0.0 110.281 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -62.14 -30.46 71.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -72.64 -33.72 66.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -85.47 -9.82 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 8' ' ' LEU . 26.4 mtm -84.42 -30.79 25.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG2' ' H ' ' A' ' 13' ' ' SER . 2.1 m -86.32 -101.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.157 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.439 ' H ' ' CG2' ' A' ' 12' ' ' VAL . 1.3 p 52.92 22.42 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.41 25.88 7.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.575 ' CD2' HG23 ' A' ' 21' ' ' THR . 17.1 m-85 -120.76 148.28 44.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 17' ' ' TYR . 1.3 tptt -42.89 -42.97 3.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.478 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 4.9 m-85 -135.99 81.4 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -54.25 -42.57 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -55.4 35.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.43 -36.61 84.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.575 HG23 ' CD2' ' A' ' 15' ' ' TYR . 70.2 m -64.09 -48.43 76.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 2.8 t -67.22 -39.21 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 13.1 ttt85 -64.15 -32.57 74.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -76.78 -39.24 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.4 m -69.75 -48.14 60.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.436 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 22' ' ' VAL . 25.5 m -63.93 -37.13 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -59.48 -41.18 89.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 t -59.15 -68.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' LYS . 46.6 pt -53.63 -27.2 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.2 m -72.25 -26.03 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.385 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.53 -47.0 9.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.463 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 42.1 m-85 -95.09 -63.69 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 16.0 ttmt 85.25 12.95 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.79 -23.92 11.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.59 142.48 35.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -119.02 119.03 32.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 129.38 12.23 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.17 144.32 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.96 127.45 44.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.56 156.89 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.1 t -147.44 118.25 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -138.09 155.49 48.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 m -81.88 149.73 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -154.3 -64.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -55.25 93.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 48.31 26.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.22 41.16 5.6 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.5 1.125 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 t -112.8 124.95 53.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 0.793 . . . . 0.0 109.992 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.6 p -42.42 145.46 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -138.0 137.31 37.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.9 100.33 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.51 135.13 54.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -100.12 142.64 31.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -139.11 156.06 47.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.7 154.04 37.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.364 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 t -166.6 135.75 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.461 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.25 -162.68 25.66 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 p -120.23 99.8 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 0.803 . . . . 0.0 110.338 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.453 ' CG2' ' HD2' ' A' ' 60' ' ' PRO . 39.9 mt -77.47 140.76 64.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.06 112.29 3.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.54 112.04 65.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.31 42.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 16.66 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.597 1.186 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.1 62.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.19 -30.72 3.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.33 130.37 26.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.4 m -113.72 106.28 14.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.4 m-85 -86.82 -166.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.2 OUTLIER -131.27 124.61 30.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.428 HD11 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -113.52 141.73 26.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.444 ' CB ' ' O ' ' A' ' 90' ' ' LYS . 18.2 Cg_endo -75.03 145.87 31.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.4 mm -141.1 151.67 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 88' ' ' PHE . 10.6 t -159.71 137.25 9.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.343 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -159.6 165.25 33.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.569 ' CD1' HG22 ' A' ' 86' ' ' ILE . 29.5 m95 -108.91 146.91 33.0 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.455 ' CD1' HD13 ' A' ' 124' ' ' LEU . 7.2 tp -112.61 112.14 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.55 -164.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.454 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -86.33 -61.79 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.444 ' O ' ' OG1' ' A' ' 79' ' ' THR . 0.9 OUTLIER 176.21 44.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.393 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.512 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -153.52 140.4 12.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.574 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -75.04 -15.49 22.29 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.947 0.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 8.0 m-85 -170.34 -40.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -143.5 155.78 60.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -4.61 15.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.569 HG22 ' CD1' ' A' ' 75' ' ' TRP . 4.5 mm -87.46 112.7 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.1 m -147.96 117.04 6.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 108.341 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' CZ ' HG21 ' A' ' 86' ' ' ILE . 9.8 m-85 -126.92 -174.58 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.049 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 11.5 p -130.51 156.22 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 44.9 mmtt -122.54 77.14 46.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 162.05 37.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.8 p -89.85 -172.18 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -23.66 22.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.54 -17.77 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.7 mtt -64.06 169.78 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 92.7 m -139.06 86.54 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.41 ' N ' HG22 ' A' ' 141' ' ' VAL . 1.8 mt -42.8 146.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -120.61 99.08 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 20.4 p -64.59 139.17 58.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.09 -148.06 4.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.21 -7.86 52.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.498 ' CE1' ' HG ' ' A' ' 111' ' ' LEU . 3.0 m-70 -105.57 -65.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.384 1.052 . . . . 0.0 109.594 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 t -78.65 162.62 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.493 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.3 OUTLIER -108.95 -65.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 169.85 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -21.59 61.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.41 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 105.73 6.14 38.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.571 1.169 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.85 124.86 48.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.8 mt -67.24 149.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -112.07 -33.71 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.498 ' HG ' ' CE1' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -44.09 122.51 4.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 115' ' ' HIS . 18.1 Cg_endo -75.05 58.52 4.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -44.15 -25.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.403 ' N ' ' C ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -79.74 -44.28 21.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER -97.0 39.79 1.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.605 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.09 -75.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 110.275 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.474 ' CH2' ' CE1' ' A' ' 119' ' ' HIS . 26.9 t-105 -74.29 -80.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.01 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.523 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER 44.03 41.91 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.937 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.1 -45.79 98.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.565 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.937 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.04 -47.82 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.998 0.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 2.0 tm0? 60.47 -68.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -49.84 161.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 127' ' ' LEU . 2.0 m-20 -134.13 172.53 12.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 76' ' ' LEU . 13.5 tp -44.12 -43.68 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.28 -46.68 76.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.45 -27.87 72.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.095 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 123' ' ' ASP . 5.2 tt -62.08 -60.38 3.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.2 mt -59.22 -27.92 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -40.66 90.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.0 t -60.21 -48.13 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.0 ttm -61.46 -36.7 81.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.2 mt -62.89 -30.3 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.4 t -72.59 -37.65 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.401 HG11 ' ND1' ' A' ' 102' ' ' HIS . 20.0 t -78.38 -43.92 26.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.447 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 5.4 m-85 -87.85 17.06 5.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.0 -38.25 1.06 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -65.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.93 160.49 29.04 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.447 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.2 Cg_endo -75.03 -25.63 11.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 97' ' ' ILE . 7.5 p -174.44 58.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 142' ' ' PHE . 24.7 p90 -57.58 124.99 20.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 5.1 t -91.37 178.16 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.949 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.452 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.4 OUTLIER -89.59 152.71 47.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 111.071 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.7 pt-20 -58.85 152.48 48.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.475 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -75.07 -84.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.547 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.19 -55.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.443 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.86 148.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.564 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 135.4 19.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 168.28 25.18 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.443 1.759 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -86.32 155.4 20.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 t -106.69 -36.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -84.45 -14.36 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.004 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' SER . 6.2 pt-20 -37.43 -33.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.33 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER -65.34 -56.01 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -64.95 -21.93 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.04 -58.26 9.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -28.06 46.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 -20.65 29.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 10.2 mtp -81.64 -29.28 33.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' CG2' ' H ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -86.52 -98.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.403 ' H ' ' CG2' ' A' ' 12' ' ' VAL . 0.4 OUTLIER 51.96 21.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -118.04 -41.61 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.238 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 3.3 m-85 -52.69 145.73 11.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 3.2 tttp -49.09 -56.76 8.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.421 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 m-85 -112.54 67.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 10.4 ttp-105 -48.89 -46.19 42.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 3.9 p-10 -55.61 -50.49 70.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HB2' ' CB ' ' A' ' 17' ' ' TYR . 8.7 mp -62.45 -35.05 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.579 HG23 ' CD2' ' A' ' 15' ' ' TYR . 19.7 m -66.13 -55.85 14.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.403 1.064 . . . . 0.0 110.419 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 13.8 t -52.27 -45.94 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -42.95 96.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -30.15 64.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 21' ' ' THR . 29.4 m -74.85 -52.54 11.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 30' ' ' THR . 16.3 m -62.97 -35.19 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -59.24 -47.69 84.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 t -55.37 -67.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' LYS . 20.7 pt -53.28 -27.84 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.1 m -72.32 -20.22 61.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tp -91.25 -47.88 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CE2' HG23 ' A' ' 128' ' ' ILE . 25.1 m-85 -90.27 -60.24 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 4.1 ttpp 85.98 5.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -111.04 -23.31 11.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tp -75.84 131.12 39.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -112.98 124.57 31.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HA ' ' CD2' ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.9 125.54 9.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -116.95 157.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.463 ' HB2' ' CE ' ' A' ' 11' ' ' MET . 0.4 OUTLIER -112.64 140.66 47.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -141.1 158.71 43.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.07 133.12 27.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -149.82 152.23 34.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.469 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 16.3 m -81.91 146.71 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 20.7 m-85 -150.06 -63.77 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 47' ' ' GLY . 6.8 t30 -50.66 94.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' PHE . 14.4 t70 44.67 27.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.71 50.45 2.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -124.93 124.61 42.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.83 146.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.45 139.8 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.79 102.31 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 5.2 tt -116.3 129.49 56.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.418 ' HG2' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.6 141.41 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 5.6 p-10 -135.63 165.49 25.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' A' ' 37' ' ' PRO . 77.7 mt -120.59 158.22 27.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 t -170.53 126.95 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.62 -176.71 43.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.614 1.196 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.8 p -111.03 99.34 8.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 0.721 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.1 pt -74.0 142.97 80.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.15 107.94 2.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 110.942 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -94.37 123.66 57.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 150.16 37.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 66' ' ' ASN . 2.0 t80 -122.19 -148.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -95.24 7.21 46.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.245 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . 169.94 46.49 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 4.3 p30 159.46 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 0.721 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -135.43 120.54 18.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.2 m-85 -89.35 -168.24 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.7 OUTLIER -127.43 108.32 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -107.58 128.65 25.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -75.06 164.12 33.87 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -163.15 167.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.224 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.495 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 6.4 t -161.76 145.79 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -163.99 156.56 17.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.573 ' CD1' HG21 ' A' ' 86' ' ' ILE . 13.7 m95 -100.78 154.18 18.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.437 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -114.51 151.8 32.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.596 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.8 OUTLIER -95.63 -170.77 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.33 20.01 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 m -136.82 14.86 3.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.47 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.6 OUTLIER -41.41 162.65 0.12 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.4 Cg_endo -74.96 131.12 23.14 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.061 -0.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -170.93 -56.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 110.937 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER 61.46 135.06 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.99 150.77 38.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.411 1.743 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 56.08 4.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.573 HG21 ' CD1' ' A' ' 75' ' ' TRP . 14.3 mm -129.79 86.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.7 m -130.29 101.54 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 108.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 8.3 p90 -135.88 163.0 31.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -90.17 163.18 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -125.27 74.43 67.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.32 43.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.5 p -83.03 -155.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.2 p -100.33 -39.5 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -9.97 59.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.1 mtt -69.82 -175.37 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 88.1 m -156.76 108.23 2.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.485 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.1 tt -76.57 136.03 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.37 120.85 43.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.58 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 21.7 p -73.12 140.05 46.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.348 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.68 -156.81 9.87 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 2.8 mtmt -88.21 49.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 12.0 m80 -165.2 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.0 t -126.87 137.37 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.58 ' O ' ' CG2' ' A' ' 99' ' ' THR . 2.1 t0 -81.55 -66.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 166.27 40.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -134.19 -34.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 118.63 -6.15 14.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.16 134.07 34.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 0.798 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.6 mt -75.55 130.43 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -86.11 -49.02 8.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.542 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 2.1 mm? -40.82 113.75 1.05 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.261 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 56.66 4.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 38.2 m-85 -58.77 -29.84 67.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.0 tt -73.07 -39.84 65.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -93.56 32.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -123.09 -73.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.3 t-105 -62.53 -80.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.539 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 14.0 tttp 45.87 43.18 9.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.953 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.51 -45.64 98.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.584 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.953 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 -45.6 0.44 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.997 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.0 tm0? 59.99 -70.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.591 ' N ' ' O ' ' A' ' 120' ' ' PRO . 3.4 t -40.17 159.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -125.36 175.2 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -47.52 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.88 -44.39 78.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.17 -34.94 87.67 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.2 tt -54.36 -59.46 4.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.794 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 32' ' ' TYR . 3.1 mp -63.59 -22.54 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.93 -42.43 76.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.2 -45.63 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.26 -40.15 95.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 32.0 mt -59.19 -31.79 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.4 t -78.14 -47.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.74 -47.89 89.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -90.03 26.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.65 -5.66 10.95 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.47 1.106 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.73 -61.57 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -101.05 157.86 32.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -26.99 10.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 13.4 p -171.65 62.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.577 1.173 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -58.73 133.68 56.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.8 t -96.43 175.07 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.432 ' N ' ' OG ' ' A' ' 143' ' ' SER . 3.4 mmt180 -81.88 160.45 63.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 pt-20 -52.05 150.98 7.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.596 1.185 . . . . 0.0 110.362 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.469 ' CB ' ' HG3' ' A' ' 71' ' ' PRO . 18.2 Cg_endo -74.98 -85.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.413 1.744 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.91 -55.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 87.24 149.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 138.63 23.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.94 177.3 8.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.443 1.76 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -98.47 158.48 15.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.8 pt-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -105.6 -43.73 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER -81.62 -12.66 58.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -44.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.45 -48.03 83.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -71.12 -32.21 68.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -38.12 65.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -27.78 69.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -84.26 -19.0 34.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.433 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 63.5 mtt -76.12 0.58 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 HG12 ' CG ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -134.28 -92.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' VAL . 23.1 t 38.45 30.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' VAL . 9.1 mttp -152.46 -45.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.564 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 3.6 m-30 -37.27 146.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -45.79 -44.43 14.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 9.8 m-85 -132.84 76.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -52.07 -40.39 61.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.28 -57.98 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 17' ' ' TYR . 10.9 mp -53.89 -37.49 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.511 HG23 ' CD2' ' A' ' 15' ' ' TYR . 65.4 m -68.09 -52.7 32.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 t -61.31 -46.69 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.31 -31.89 70.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -43.32 32.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -67.26 -44.53 79.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.452 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 30' ' ' THR . 19.6 m -66.8 -40.73 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' HB3' ' CD1' ' A' ' 125' ' ' LEU . 10.9 m-20 -55.43 -45.22 76.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.61 -68.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.438 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 26.2 pt -53.41 -21.01 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.3 m -79.96 -30.88 39.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 32' ' ' TYR . 2.4 tp -81.71 -52.23 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.501 ' CE1' HD23 ' A' ' 31' ' ' LEU . 51.0 m-85 -99.9 -58.48 1.91 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' CA ' ' O ' ' A' ' 29' ' ' ILE . 4.0 ttpp 81.39 20.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 -23.82 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.591 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 3.0 mm? -79.26 178.75 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -159.68 119.39 1.68 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.58 11.61 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.44 156.76 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 0.4 OUTLIER -105.01 122.19 45.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -124.27 155.48 38.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.426 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 6.4 t -139.67 121.16 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.4 t80 -152.38 156.53 39.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.0 m -80.95 141.61 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.5 m-85 -143.74 -58.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -57.16 88.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PHE . 12.1 t70 50.23 23.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.72 57.78 1.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.31 108.83 9.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 m -39.02 132.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' TYR . 2.1 ttm-85 -132.01 136.16 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -106.48 130.33 54.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.248 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.538 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -165.39 154.59 12.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.426 ' O ' ' CB ' ' A' ' 76' ' ' LEU . 37.5 ttp -83.12 128.36 34.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 55' ' ' LEU . 6.7 t30 -109.56 154.42 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.179 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 4.3 mm? -104.32 136.37 44.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.55 137.39 22.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.401 1.063 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.46 -167.8 38.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.571 1.169 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 p -131.28 106.75 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 110.43 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.591 ' CG2' ' CD2' ' A' ' 35' ' ' LEU . 19.3 pt -83.74 148.28 54.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.05 3.7 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.401 1.737 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.52 107.43 60.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.413 ' N ' HG23 ' A' ' 67' ' ' THR . 18.6 Cg_endo -74.93 157.03 43.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.758 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.455 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -135.42 15.11 3.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 3.4 ttt180 81.45 59.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.68 -27.55 3.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -143.59 136.77 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 62' ' ' PRO . 92.4 m -122.13 109.05 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.521 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.7 m-85 -85.14 -167.93 2.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.92 117.94 25.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.07 139.68 22.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.412 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 18.4 Cg_endo -74.96 148.15 35.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.393 1.733 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 27.2 mm -133.18 137.27 53.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 3.6 t -131.86 118.33 19.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.265 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -131.18 124.71 31.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.438 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 54.0 m95 -91.11 84.67 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.426 ' CB ' ' O ' ' A' ' 53' ' ' MET . 1.5 tp -61.56 94.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.564 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 2.2 mm? -68.25 -170.98 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -102.81 -29.7 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 175.37 62.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -170.13 150.72 3.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.569 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -74.99 -50.2 0.2 OUTLIER 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.029 -2.488 . . . . 0.0 110.969 -0.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' CD2' ' HE2' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -117.75 -10.29 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.599 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER 153.38 -46.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.02 112.69 3.62 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.438 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.1 Cg_endo -75.07 -173.52 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.2 mt -67.79 114.96 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.47 ' SG ' ' CD2' ' A' ' 127' ' ' LEU . 74.4 m -102.78 112.29 25.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.597 ' CZ ' ' SG ' ' A' ' 73' ' ' CYS . 3.6 p90 -159.51 142.17 13.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 7.5 p -83.77 143.38 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -117.23 84.1 16.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 109.322 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 177.2 8.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.8 p -91.26 -159.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.374 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.0 m -99.86 -30.77 11.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.47 4.35 24.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 0.0 OUTLIER -98.16 -168.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 93.7 m -152.77 112.47 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.5 tt -81.51 149.59 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.42 113.2 25.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.5 p -99.92 139.39 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 110.409 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.96 -126.74 1.11 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -93.32 25.46 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -135.7 -63.85 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.586 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.6 t -105.16 174.32 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -114.6 -54.88 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 172.15 -41.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.84 -5.01 57.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.61 -13.64 61.0 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.585 1.178 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 10.1 tptp -60.39 131.31 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 25.7 mt -75.2 153.33 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 110' ' ' TYR . 8.5 t80 -144.54 67.94 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -125.94 152.08 72.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 53.9 3.48 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 114' ' ' LEU . 4.9 p90 -108.88 -36.92 5.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 113' ' ' TYR . 0.6 OUTLIER -67.35 -39.06 85.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.98 34.51 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.551 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.48 -78.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.234 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 119' ' ' HIS . 4.0 t90 -49.5 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.545 ' HE2' ' CD2' ' A' ' 82' ' ' TYR . 6.2 ttmt 39.63 44.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.94 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -55.14 -45.34 99.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.598 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.94 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.12 -44.36 0.57 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.962 -2.516 . . . . 0.0 110.993 0.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.477 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 21.4 tp60 58.9 -68.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 120' ' ' PRO . 7.7 t -38.95 157.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -132.07 176.8 8.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.379 1.049 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -41.64 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 27' ' ' ASN . 9.3 mp -59.46 -36.7 76.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -70.36 -56.32 7.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.438 1.086 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.47 ' CD2' ' SG ' ' A' ' 87' ' ' CYS . 4.3 tt -41.27 -56.3 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.97 -39.73 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 126' ' ' GLY . 5.9 tt0 -60.22 -44.92 94.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.6 t -62.56 -35.23 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 49.3 ttm -73.85 -42.26 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 32.1 mt -59.58 -26.85 35.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 53.7 t -78.65 -48.7 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.35 -41.19 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.532 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 7.2 m-85 -92.09 17.22 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.73 -16.15 7.07 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.428 1.08 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -101.8 -64.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 0.2 OUTLIER -91.86 156.85 42.23 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.822 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.532 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.97 -27.53 9.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 6.3 p -171.39 59.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 142' ' ' PHE . 19.2 p90 -58.79 127.34 31.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 1.2 t -89.68 175.58 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 143' ' ' SER . 13.6 mmt85 -122.28 159.81 50.63 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.448 1.762 . . . . 0.0 110.996 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -46.31 151.12 1.01 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.471 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.97 -80.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.534 1.807 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 73.95 -57.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.435 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.09 151.64 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.521 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.95 142.4 27.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.02 170.86 19.48 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.551 1.816 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.27 172.57 8.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.6 p -55.59 -42.56 69.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.7 OUTLIER -63.02 -60.09 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.007 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -42.72 -45.55 4.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -58.92 -40.4 84.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -76.68 -37.77 55.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.9 -50.64 72.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' CG ' ' HD2' ' A' ' 18' ' ' ARG . 1.3 ttpt -60.78 -33.36 72.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -81.98 -13.06 57.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.419 1.074 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' GLN . 16.1 mtm -91.68 9.54 31.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.551 HG13 ' CE1' ' A' ' 15' ' ' TYR . 0.5 OUTLIER -141.64 -99.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER 69.97 -59.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.918 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -46.32 -26.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.551 ' CE1' HG13 ' A' ' 12' ' ' VAL . 1.7 m-85 -48.03 125.56 9.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.39 1.056 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -39.93 -40.67 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.499 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 64.3 m-85 -131.31 66.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.457 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 4.4 ttp180 -51.39 -54.81 22.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -56.03 -58.23 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.358 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -51.89 -38.98 58.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.409 HG22 ' CD2' ' A' ' 15' ' ' TYR . 98.9 m -68.7 -59.15 3.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.434 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.448 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 25.3 t -53.9 -41.62 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 35.1 ttp180 -65.81 -32.5 74.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -43.25 31.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -64.55 -48.81 73.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' THR . 36.0 m -62.87 -37.52 79.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 10.3 m-20 -55.41 -45.41 76.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.2 t -58.14 -66.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.417 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 25.2 pt -55.17 -26.21 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.5 m -75.27 -20.06 59.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -93.64 -48.06 6.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -96.74 -57.09 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' CA ' ' O ' ' A' ' 29' ' ' ILE . 2.0 ttpt 78.84 20.41 0.78 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -110.07 -23.54 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.222 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.562 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 2.9 mm? -75.96 179.83 5.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.94 119.49 2.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 122.42 7.14 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.501 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -124.88 164.15 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.225 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.501 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -112.73 155.25 24.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 39' ' ' LEU . 2.9 p30 -148.48 145.08 27.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -121.86 119.08 30.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -133.62 150.97 51.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.3 m -89.37 147.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 48.0 m-85 -150.34 -63.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -52.4 95.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 45.03 27.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 89.75 52.06 2.72 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -125.34 121.19 33.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.9 p -39.08 153.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' TYR . 1.1 ttm180 -147.91 139.05 23.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.13 105.05 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.62 133.37 47.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.503 ' SD ' ' CD2' ' A' ' 76' ' ' LEU . 2.1 ppp? -91.52 174.9 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 6.8 p-10 -168.48 160.02 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mt -114.17 153.45 29.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 t -164.46 141.73 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.78 -165.61 38.04 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -126.41 105.96 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.562 ' CG2' ' CD2' ' A' ' 35' ' ' LEU . 38.7 pt -88.35 149.38 44.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -105.31 106.51 56.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.09 36.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -120.49 18.25 12.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.15 . . . . 0.0 111.056 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER 84.09 2.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.237 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.36 -45.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -125.46 141.56 51.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.233 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 m -110.51 103.39 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.49 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.8 m-85 -86.96 -165.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -132.98 118.24 18.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.336 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -110.15 136.04 20.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 18.5 Cg_endo -75.0 150.66 38.5 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.546 1.814 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mm -138.48 152.87 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 90' ' ' LYS . 22.5 t -163.11 109.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -132.52 165.63 23.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.579 ' CD1' HG22 ' A' ' 86' ' ' ILE . 48.7 m95 -98.76 154.6 17.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.503 ' CD2' ' SD ' ' A' ' 53' ' ' MET . 1.9 tp -125.85 110.24 13.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 8.4 mt -55.99 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.498 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -143.36 31.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.8 m -129.1 -83.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 60.51 150.24 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 111.059 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.602 ' O ' ' CD2' ' A' ' 82' ' ' TYR . 18.2 Cg_endo -74.97 153.96 99.45 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.073 -2.47 . . . . 0.0 110.971 -0.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER 166.73 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 127' ' ' LEU . 2.4 t-20 64.72 133.66 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 112.83 3.65 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.812 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 18.1 Cg_endo -75.04 50.88 2.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.664 ' CG2' ' CE2' ' A' ' 88' ' ' PHE . 17.0 mm -144.96 107.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -129.18 128.03 42.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 108.271 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.664 ' CE2' ' CG2' ' A' ' 86' ' ' ILE . 30.4 m-85 -137.69 169.46 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 8.0 p -117.03 167.09 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 71' ' ' PRO . 12.8 mmtm -126.58 72.11 73.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.69 38.31 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.451 1.764 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.8 p -103.85 -173.48 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -83.08 -37.86 23.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -6.87 54.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.49 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.3 mtt -80.82 -173.95 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.8 m -153.0 104.8 2.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.3 tt -70.09 140.07 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.452 ' O ' ' CG ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -120.42 97.02 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 79.2 p -60.01 150.43 29.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 101' ' ' LYS . . . 92.96 169.04 39.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.55 1.156 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 5.8 mtpp 75.84 -49.46 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 0.808 . . . . 0.0 109.242 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -172.8 34.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.604 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -155.35 162.97 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.509 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.7 OUTLIER -120.44 -67.24 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 171.19 38.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.24 16.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.491 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 63.74 16.81 59.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.48 147.64 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.429 ' CD1' ' SD ' ' A' ' 131' ' ' MET . 5.6 mt -82.72 139.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.75 -153.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.415 ' HB2' ' NE2' ' A' ' 102' ' ' HIS . 4.5 mm? 65.99 163.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 113' ' ' TYR . 18.0 Cg_endo -75.09 4.99 4.29 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.786 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 112' ' ' PRO . 1.9 t80 -32.19 -47.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.86 -50.05 18.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 115' ' ' HIS . 15.9 t60 -93.11 47.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.62 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 112' ' ' PRO . 1.3 tt0 -124.08 -71.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 119' ' ' HIS . 3.8 t90 -65.55 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 108.02 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.539 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 38.5 47.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.973 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -55.99 -44.58 99.76 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.545 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.973 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.0 -51.54 0.16 OUTLIER 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.019 0.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 27.8 tp60 63.38 -64.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.0 OUTLIER -52.61 164.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -134.35 171.56 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.88 -57.83 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 mp -47.19 -61.16 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.212 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.1 -40.2 65.89 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 83' ' ' ASN . 9.2 tt -57.13 -48.47 78.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.4 mm -59.39 -34.97 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -60.71 -46.92 88.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.453 HG11 ' CE1' ' A' ' 113' ' ' TYR . 3.0 t -61.37 -41.32 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.429 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 9.3 tpp -65.46 -36.91 85.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.66 -35.24 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 23.8 t -78.15 -38.11 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.66 -31.92 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 140' ' ' PRO . 2.1 m-30 -111.16 32.87 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -130.84 -47.93 0.13 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -54.78 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -109.21 157.72 36.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.21 3.74 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.433 1.754 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 18.5 Cg_endo -74.9 -28.46 9.34 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.435 1.755 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 13.8 p -170.19 61.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -59.08 129.64 43.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 5.2 t -97.26 177.96 5.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.449 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -62.53 152.31 81.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.962 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 pt-20 -52.66 148.66 12.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.49 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.97 -85.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.37 -55.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.72 149.23 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 137.97 22.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 167.38 27.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.0 OUTLIER -85.03 152.56 23.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.7 pt-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -101.24 7.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.367 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -50.76 -58.94 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.31 -46.22 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -49.18 68.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' MET . 3.0 tt0 -61.22 -25.07 66.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -67.61 -48.28 67.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -69.63 -32.66 71.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -12.76 55.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' GLN . 8.9 ttm -78.7 -12.27 60.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.08 -84.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.576 1.173 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.418 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER 54.56 29.6 11.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -143.75 -47.38 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 78' ' ' ASP . 5.4 m-30 -46.75 135.72 8.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -57.09 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -94.69 63.9 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 13' ' ' SER . 32.0 ttp180 -55.88 -29.15 59.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -84.33 -56.93 3.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 1.8 tp -55.47 -30.61 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -69.84 -56.49 6.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 3.5 t -61.27 -42.46 93.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.46 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.66 -20.01 64.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.494 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 7.8 mt-10 -76.64 -33.69 58.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.299 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.5 m -83.41 -47.54 11.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 30' ' ' THR . 11.6 m -47.24 -53.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' CG ' ' N ' ' A' ' 28' ' ' VAL . 4.3 p30 -61.58 -44.71 96.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.399 1.062 . . . . 0.0 109.213 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.506 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 1.8 t -57.56 -65.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' LYS . 13.5 pt -55.49 -29.01 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.395 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -70.41 -23.36 62.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tp -88.34 -49.74 6.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.498 ' CD2' HG13 ' A' ' 28' ' ' VAL . 3.9 m-85 -87.3 -61.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ILE . 5.2 ttpm? 81.73 4.44 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.29 -24.01 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.61 98.76 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 119.52 76.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.62 5.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -119.78 160.48 20.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 2.9 tm? -114.23 143.79 44.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' N ' HD12 ' A' ' 39' ' ' LEU . 1.5 p30 -132.15 144.09 50.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.2 t -130.08 131.54 45.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.2 t80 -148.16 142.12 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.8 m -77.34 144.75 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.192 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 39.3 m-85 -146.97 -62.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 47' ' ' GLY . 34.0 m-20 -58.05 98.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 47.06 25.93 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 86.6 55.51 2.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' SER . 8.6 t -126.35 113.68 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' SER . 39.3 m -37.54 144.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.05 137.26 42.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.23 119.59 23.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.48 124.66 15.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.6 ptm -96.16 138.59 33.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -129.27 171.77 12.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mt -128.96 146.39 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 t -162.36 131.59 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.45 -173.02 44.24 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 p -106.33 108.3 19.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.395 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.456 ' CG1' ' HD2' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -88.61 145.82 36.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.357 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HD2' ' CG1' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.05 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.65 111.17 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.09 17.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.559 1.82 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -128.49 -171.02 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.94 49.03 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.7 -38.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 178.78 -175.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 0.793 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.5 m -103.57 109.26 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.537 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.7 m-85 -86.66 -167.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -131.18 116.92 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -112.33 138.89 22.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.466 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 18.1 Cg_endo -75.06 150.13 37.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.5 mm -138.17 150.98 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.245 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 88' ' ' PHE . 25.8 t -155.39 113.12 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 108.301 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -141.42 160.92 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -106.47 144.21 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 tp -116.2 116.97 28.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 mp -82.93 -176.44 6.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.494 ' HA ' ' CD2' ' A' ' 15' ' ' TYR . 3.2 m-20 -71.56 -62.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.229 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 t -177.4 36.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.524 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 7.3 p90 -149.13 149.09 28.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -75.09 -54.18 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.087 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.926 0.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 18.4 p90 -117.86 -32.79 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.438 ' CB ' ' CD ' ' A' ' 84' ' ' PRO . 1.2 m-20 -166.42 174.69 2.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.0 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 86' ' ' ILE . 18.5 Cg_endo -74.96 -66.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 85' ' ' PRO . 6.4 mt -31.95 108.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.9 p -141.0 134.88 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 108.26 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.537 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 16.7 p90 -172.66 175.14 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 2.2 p -126.24 148.49 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 86.43 18.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.98 42.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.4 p -74.93 176.43 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.349 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.81 -34.07 39.84 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -10.55 59.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.5 mtt -81.72 -169.8 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.4 m -119.23 -144.29 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 174.17 130.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 122.41 41.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 41.7 p -96.56 138.74 33.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.68 -144.13 6.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.99 50.36 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 0.713 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.428 ' NE2' HG12 ' A' ' 134' ' ' VAL . 5.2 m170 -161.88 -50.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.555 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -118.94 167.27 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.489 ' O ' ' CG2' ' A' ' 99' ' ' THR . 1.9 t70 -104.79 -55.55 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.419 1.075 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 171.35 -34.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -92.72 -0.77 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.68 -5.51 56.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -68.98 129.45 39.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.5 mt -68.59 132.94 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -145.85 101.72 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.438 HD22 ' CB ' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -177.34 173.21 0.73 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.305 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 83.17 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.438 ' CB ' HD22 ' A' ' 111' ' ' LEU . 16.0 t80 -126.67 -42.61 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 115' ' ' HIS . 0.3 OUTLIER -75.61 -42.88 50.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.413 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 41.4 t60 -96.68 39.04 1.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.594 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.97 -75.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 118' ' ' LYS . 54.4 t-105 -63.21 -79.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.526 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.6 tttp 37.22 43.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.966 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -53.38 -45.61 98.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.602 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.966 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.0 -49.73 0.22 Allowed 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.954 -0.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 30.4 tp60 63.55 -64.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 120' ' ' PRO . 16.1 t -39.87 139.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.29 177.87 6.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.9 -55.72 5.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.448 ' CD2' ' OD1' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -46.84 -61.68 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.8 88.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 4.4 tt -41.44 -61.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.442 ' CG2' ' OH ' ' A' ' 32' ' ' TYR . 3.0 mp -66.89 -35.13 73.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -56.21 -44.65 79.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 37.3 t -67.24 -39.57 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' A' ' 135' ' ' PHE . 16.8 tpp -68.75 -41.16 79.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 111.053 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.3 mt -61.4 -31.72 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.1 t -79.82 -50.55 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.428 HG12 ' NE2' ' A' ' 102' ' ' HIS . 78.6 t -56.6 -50.96 71.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.446 ' CE1' ' SD ' ' A' ' 131' ' ' MET . 8.1 m-85 -87.94 22.22 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -118.12 -39.41 0.75 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -64.89 -65.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -103.07 164.3 15.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.401 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.4 Cg_endo -74.85 -26.93 10.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 14.0 p -171.66 63.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.53 ' O ' ' CD1' ' A' ' 142' ' ' PHE . 23.8 p90 -61.9 132.35 52.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.81 169.58 11.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -93.59 127.5 45.84 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.418 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -52.49 151.26 7.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.1 Cg_endo -75.04 -81.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.578 1.83 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.521 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 73.88 -55.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.445 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.35 149.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.537 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.95 135.41 19.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.797 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.95 171.58 18.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -90.5 162.01 15.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.244 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.78 -20.7 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -84.01 -13.41 53.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.02 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.444 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 3.1 tm-20 -38.48 -32.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 4' ' ' SER . 9.0 t -62.17 -59.22 5.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.65 -26.66 68.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.086 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.2 OUTLIER -54.33 -61.32 2.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -24.16 4.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.7 -29.23 30.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -76.84 -16.26 59.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.17 -95.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.4 p 56.75 16.83 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -33.78 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.49 ' CD2' HG21 ' A' ' 21' ' ' THR . 4.4 m-85 -50.16 129.0 20.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -34.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' THR . 17.7 m-85 -135.13 63.34 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 9.8 ttp-105 -48.34 -47.39 37.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -56.64 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -28.17 67.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.49 HG21 ' CD2' ' A' ' 15' ' ' TYR . 53.9 m -73.19 -59.14 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.44 -34.47 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -66.32 -39.56 89.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -34.49 63.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -68.02 -52.83 31.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' THR . 27.4 m -62.18 -39.05 82.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -53.85 -42.23 68.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 109.257 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 125' ' ' LEU . 3.8 t -60.96 -66.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.4 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 20.9 pt -55.21 -23.36 13.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -72.54 -27.17 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.441 ' CD2' ' CE1' ' A' ' 32' ' ' TYR . 1.3 tt -88.08 -48.15 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.458 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 26.6 m-85 -90.55 -64.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 85.46 15.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -109.67 -23.77 11.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.98 174.01 10.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -153.12 121.44 3.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 121.86 6.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -116.36 158.38 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' CD2' ' HG3' ' A' ' 53' ' ' MET . 0.4 OUTLIER -110.17 133.82 52.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 52' ' ' LEU . 42.4 p30 -134.75 153.93 51.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -135.9 134.31 38.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.188 . . . . 0.0 109.945 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.5 t80 -147.71 151.19 35.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.411 1.069 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 m -79.58 140.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 29.8 m-85 -144.15 -66.64 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.432 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -49.7 96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' PHE . 8.6 t70 42.9 28.2 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 109.239 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 87.7 63.56 1.4 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -138.75 117.81 12.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 0.741 . . . . 0.0 109.946 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 p -39.99 142.63 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.407 1.067 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.76 135.71 26.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.82 110.89 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -123.33 160.18 27.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.419 ' HG3' ' CD2' ' A' ' 39' ' ' LEU . 2.6 ttp -114.73 157.09 23.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 4.7 p-10 -153.15 166.77 31.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -126.72 154.49 44.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 t -166.09 147.82 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.26 -169.13 39.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.589 1.181 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 p -112.9 115.51 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 110.46 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.455 ' CD1' HG13 ' A' ' 72' ' ' ILE . 13.6 mt -86.7 133.97 38.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -75.01 102.99 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.483 1.781 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -91.91 113.95 60.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 161.39 38.6 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.456 1.766 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 66' ' ' ASN . 0.4 OUTLIER -139.48 -146.73 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.88 53.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . 115.95 26.49 3.26 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.4 m120 -162.81 170.69 17.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 65.8 m -151.45 101.13 2.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.523 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 3.5 m-85 -84.03 -170.89 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.18 120.92 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.438 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -108.18 151.55 41.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.41 ' CB ' ' O ' ' A' ' 90' ' ' LYS . 18.2 Cg_endo -75.03 148.1 34.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.575 1.829 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.455 HG13 ' CD1' ' A' ' 59' ' ' ILE . 18.9 mm -145.72 140.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.243 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.593 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 4.2 t -156.78 118.31 3.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -144.49 138.73 27.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 21.6 m95 -79.87 178.82 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.025 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -141.74 129.8 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.381 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -101.0 -175.88 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.03 -44.62 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t -176.73 57.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.554 ' CD1' ' HA ' ' A' ' 81' ' ' PRO . 76.2 t80 -177.6 142.17 0.47 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.554 ' HA ' ' CD1' ' A' ' 80' ' ' TYR . 18.1 Cg_endo -74.98 -47.16 0.32 Allowed 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.028 -2.489 . . . . 0.0 110.961 0.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 118' ' ' LYS . 6.6 t80 -110.16 -34.37 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.516 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.1 OUTLIER 165.17 -53.61 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 83' ' ' ASN . 18.1 Cg_endo -75.07 111.27 3.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.471 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 18.0 Cg_endo -75.04 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.962 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 73.2 mt -127.86 146.43 33.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 74.0 m -136.39 138.36 41.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.276 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 3.2 p90 -173.84 161.71 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.8 p -103.02 149.98 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 1.5 mmtp -118.97 79.5 17.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 156.92 43.11 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.441 1.758 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 p -73.73 -161.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.7 -29.82 12.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.45 -15.44 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.468 ' HE3' ' CA ' ' B' ' 208' ' ' THR . 3.5 mtt -62.57 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.1 m -156.39 103.92 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.7 tt -81.54 155.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -131.19 111.48 11.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.178 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 34.3 p -65.47 139.38 58.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.31 -154.68 10.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 0.7 OUTLIER -89.7 47.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 19.9 m170 -160.76 -48.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 0.0 109.639 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 104' ' ' ASP . 53.2 t -116.67 145.89 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -86.38 -55.46 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 163.42 -34.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -88.58 -1.57 58.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.6 -21.65 41.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.32 116.78 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.1 mt -57.56 130.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -102.08 54.95 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.0 mt -131.47 160.43 67.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.4 Cg_endo -74.99 -54.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.49 ' CZ ' HG11 ' A' ' 130' ' ' VAL . 0.8 OUTLIER 59.71 -77.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 112' ' ' PRO . 5.1 tt -54.05 -44.04 70.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.82 33.73 2.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -130.58 -67.28 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.252 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.0 t-105 -75.42 -81.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 0.2 OUTLIER 46.14 42.77 10.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.232 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.933 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.16 -45.99 98.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.933 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.96 -46.85 0.34 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.029 -0.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 58.1 -72.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -43.49 147.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -133.03 178.25 7.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -49.63 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.448 ' CD1' HG21 ' A' ' 28' ' ' VAL . 9.9 mp -61.62 -55.46 30.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -52.63 -41.47 57.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 84' ' ' PRO . 7.7 tt -49.03 -57.13 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.3 mp -63.2 -33.31 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.83 -43.9 91.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.49 HG11 ' CZ ' ' A' ' 113' ' ' TYR . 6.5 t -59.94 -44.13 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 22.4 ttm -63.96 -36.15 83.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 36.9 mt -66.37 -26.88 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 t -79.17 -31.82 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.55 -40.03 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.451 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 3.7 m-30 -95.09 21.88 7.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.28 -29.69 2.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.48 -65.8 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 0.73 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.95 163.32 19.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.25 3.75 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.451 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.99 -28.22 9.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.4 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 14.7 p -171.95 60.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -58.8 132.93 55.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 2.4 t -97.72 175.89 6.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.439 ' N ' ' OG ' ' A' ' 143' ' ' SER . 35.5 ptt85 -88.13 156.99 51.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 110.966 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -47.12 149.01 1.8 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.453 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.4 Cg_endo -75.0 -83.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.543 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.82 -57.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.88 151.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.508 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 138.88 23.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.523 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.05 178.97 6.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -123.23 154.53 38.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p -97.22 -7.45 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -67.39 -11.24 57.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.969 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -35.14 -36.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.341 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER -62.36 -60.5 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -23.02 62.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -34.39 75.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HE2' ' NE ' ' A' ' 18' ' ' ARG . 6.8 tmtt? -68.31 -30.5 69.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -85.79 -11.98 52.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.504 ' SD ' ' CB ' ' A' ' 39' ' ' LEU . 2.8 mtm -78.49 -10.45 59.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -93.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.6 28.29 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.32 22.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -107.1 148.23 29.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.577 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -51.71 -24.53 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 0.0 109.368 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 13.6 m-85 -151.46 69.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 111.062 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' NE ' ' HE2' ' A' ' 9' ' ' LYS . 4.0 ttp-105 -59.68 -43.65 93.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 110.23 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.67 -55.34 36.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.02 -32.3 70.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -71.62 -52.36 18.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.02 -41.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -33.95 72.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 13.1 mt-10 -73.96 -43.15 59.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -62.19 -48.99 77.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 30' ' ' THR . 23.0 m -63.08 -41.21 91.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -62.49 -38.24 89.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 79.2 t -61.03 -61.4 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 47.7 pt -59.97 -32.12 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.193 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 19.0 m -71.95 -23.34 61.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 HD23 ' CZ ' ' A' ' 32' ' ' TYR . 4.0 tp -85.82 -49.25 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.521 ' CE1' HD13 ' A' ' 132' ' ' ILE . 31.5 m-85 -104.79 -58.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 86.74 1.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.601 1.188 . . . . 0.0 109.352 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -96.47 -24.15 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -87.85 96.74 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -82.25 121.18 78.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 138.55 23.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.465 ' CG1' ' OD1' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -138.28 159.77 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.504 ' CB ' ' SD ' ' A' ' 11' ' ' MET . 1.8 tm? -113.76 135.74 53.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.506 ' OD2' ' CH2' ' A' ' 75' ' ' TRP . 8.4 p-10 -138.93 136.28 35.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.5 t -129.76 133.97 47.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 4.0 t80 -164.62 169.12 17.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.5 139.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.8 m-85 -141.79 -62.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.3 m120 -52.13 92.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 25.3 t70 43.09 28.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 93.64 61.27 1.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.68 115.59 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 t -42.21 141.07 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -142.4 140.48 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -110.21 112.02 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.505 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -149.02 145.23 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.504 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 27.9 ptm -91.0 149.24 21.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.069 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.465 ' OD1' ' CG1' ' A' ' 38' ' ' VAL . 6.1 p30 -125.67 165.54 18.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -118.61 141.56 48.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 t -149.8 144.41 25.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 155.01 -170.5 33.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.8 p -122.87 110.99 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.338 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.46 ' CG2' HD12 ' A' ' 35' ' ' LEU . 28.1 pt -80.5 146.07 60.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.76 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.61 114.62 65.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.57 42.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.414 1.744 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.458 ' CB ' ' OD1' ' A' ' 66' ' ' ASN . 1.3 t80 -124.69 -147.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -94.59 5.85 50.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.61 41.65 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.458 ' OD1' ' CB ' ' A' ' 63' ' ' TYR . 3.6 p30 168.43 -176.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.9 m -153.52 113.74 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 0.8 OUTLIER -88.09 -165.28 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.83 112.61 16.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -108.29 133.34 20.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 164.0 34.17 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -165.91 167.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 7.6 t -167.99 143.0 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.553 1.158 . . . . 0.0 108.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -150.84 157.71 43.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.506 ' CH2' ' OD2' ' A' ' 40' ' ' ASP . 16.1 m95 -107.14 100.03 9.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.023 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.404 ' CD1' HD21 ' A' ' 124' ' ' LEU . 1.1 tp -68.82 79.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.43 178.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' A' ' 79' ' ' THR . 20.8 p-10 -70.27 -33.66 71.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.511 ' CB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 166.05 66.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.506 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.03 154.89 51.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -75.03 -37.46 2.21 Favored 'Cis proline' 0 C--N 1.361 1.225 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.006 -0.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.556 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 48.9 m-85 -124.96 -1.23 7.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.627 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER 151.57 -45.33 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.01 115.85 4.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.446 ' HD2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.96 179.8 5.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.418 1.746 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 7.0 mt -67.39 121.92 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 93.6 m -113.49 113.33 24.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 6.1 p90 -144.35 135.39 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 4.4 p -80.62 148.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' N ' HG21 ' A' ' 89' ' ' VAL . 4.9 mmmt -122.78 89.66 50.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.379 1.049 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 159.76 41.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.409 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 59.2 p -80.51 -135.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -44.63 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.6 t -74.1 -9.72 58.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 1.9 mtm -81.19 179.19 7.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 t -154.61 126.67 7.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 105' ' ' ALA . 2.0 mt -66.8 150.66 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.44 81.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 39.8 p -61.96 138.69 58.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.83 -137.98 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 4.4 mttt -93.5 36.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 10.1 m170 -148.67 -55.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.1 t -111.3 152.02 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' THR . 1.1 t0 -91.71 -65.06 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.441 ' O ' ' CD1' ' A' ' 97' ' ' ILE . . . 174.0 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -9.59 56.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.41 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 94.35 19.87 31.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.74 144.55 31.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.34 141.4 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -94.49 -54.45 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.7 mt -42.63 119.37 2.43 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 53.37 3.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.527 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.2 p90 -65.22 -39.38 92.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.527 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -56.6 -35.09 67.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.435 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 4.3 t-160 -99.09 28.93 4.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -120.11 -73.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 43.6 t-105 -64.75 -80.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.049 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.524 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER 36.53 42.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.966 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -54.58 -45.28 99.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.55 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.966 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.99 -49.8 0.21 Allowed 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.005 0.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 29.1 tp60 63.33 -65.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 120' ' ' PRO . 5.5 t -44.61 161.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -127.15 173.54 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.404 HD21 ' CD1' ' A' ' 76' ' ' LEU . 1.8 tp -50.56 -38.45 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.17 -56.55 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.42 -43.46 93.93 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.537 1.148 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.468 ' C ' ' CD2' ' A' ' 127' ' ' LEU . 3.9 tt -47.29 -64.51 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.409 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 4.7 mt -59.11 -30.8 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -58.71 -43.72 90.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.62 -42.3 94.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 17.1 ttm -66.81 -32.83 74.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.521 HD13 ' CE1' ' A' ' 32' ' ' TYR . 24.6 mt -64.16 -36.86 78.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 19.9 t -77.47 -33.96 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.53 -50.61 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.6 m-85 -90.59 19.38 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -114.33 -13.44 9.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.77 -60.95 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.79 159.68 28.7 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.405 1.739 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.52 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.1 Cg_endo -75.1 -28.71 8.78 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.447 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 8.1 p -170.11 61.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -57.51 140.78 49.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.4 t -103.13 174.25 5.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.428 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.1 OUTLIER -63.23 148.82 92.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.223 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -54.75 150.02 20.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.98 -87.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 77.64 -53.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 87.64 150.53 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.414 ' CD ' HD12 ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.09 144.7 30.25 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.02 -168.55 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -118.43 162.58 18.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.83 -39.12 38.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -61.83 -47.94 82.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 110.034 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.73 -46.0 10.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.74 -37.88 88.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.04 -19.46 51.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.0 OUTLIER -68.48 -40.89 80.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HG2' ' NH1' ' A' ' 18' ' ' ARG . 18.3 tttt -67.27 -41.48 85.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -79.53 -12.17 59.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.471 ' HG3' ' CD2' ' A' ' 39' ' ' LEU . 9.0 ttm -78.41 -15.42 58.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG11 ' CG ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -125.15 -96.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 t 55.76 20.13 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.966 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 15' ' ' TYR . 9.1 ttpt -141.66 -45.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.472 ' CG ' HG11 ' A' ' 12' ' ' VAL . 2.5 m-30 -34.05 150.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -50.72 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -133.1 58.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' NH1' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -44.21 -28.7 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -69.5 -55.88 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.5 -40.69 83.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.454 HG23 ' CD2' ' A' ' 76' ' ' LEU . 53.5 m -62.46 -49.94 73.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 3.4 t -59.66 -46.77 92.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 30.3 ttp180 -67.39 -30.29 70.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.05 -41.83 49.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 m -68.47 -55.89 10.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.133 . . . . 0.0 110.434 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' THR . 30.5 m -52.37 -40.11 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -55.53 -47.36 76.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.23 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.85 -68.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' LYS . 19.3 pt -52.14 -28.65 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -69.2 -23.12 63.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -46.48 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 74.5 m-85 -92.65 -63.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER 88.04 11.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.91 -20.63 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.59 166.33 21.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -154.97 122.18 2.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 128.71 11.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -125.82 161.87 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 11' ' ' MET . 1.3 tm? -119.82 119.37 33.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.564 ' OD2' ' CH2' ' A' ' 75' ' ' TRP . 42.0 p30 -131.22 160.18 35.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.3 t -143.31 127.25 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 6.8 t80 -152.21 162.95 40.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.548 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 10.4 m -78.35 139.52 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 24.1 m-85 -143.72 -67.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -51.38 98.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 t0 50.35 27.31 2.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.1 49.36 5.61 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.1 t -121.29 121.75 38.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 0.735 . . . . 0.0 109.971 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.7 m -38.21 142.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.409 1.068 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -149.52 141.21 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -114.65 136.85 52.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -172.81 152.39 2.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.49 ' SD ' ' CD2' ' A' ' 76' ' ' LEU . 3.1 ppp? -86.5 139.48 30.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -125.23 164.28 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 55' ' ' LEU . 3.1 mm? -105.04 148.99 26.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' LYS . 3.8 t -153.87 139.66 18.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.43 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.77 170.21 21.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.8 p -103.45 103.41 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.476 ' CD1' HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -70.06 138.27 87.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 92.83 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.38 114.09 37.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.11 43.1 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.36 -163.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -12.18 60.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.237 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 66' ' ' ASN . . . -178.43 34.91 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.442 1.088 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 3.2 m120 -164.39 -178.47 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 0.721 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.2 m -156.27 107.84 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.5 m-85 -89.91 -170.74 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -127.7 110.76 12.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -109.17 128.72 24.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.447 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.3 Cg_endo -74.97 157.8 42.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' A' ' 131' ' ' MET . 0.1 OUTLIER -147.21 167.83 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 88' ' ' PHE . 11.8 t -151.96 103.5 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.5 135.83 43.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.564 ' CH2' ' OD2' ' A' ' 40' ' ' ASP . 93.7 m95 -103.68 91.93 4.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.49 ' CD2' ' SD ' ' A' ' 53' ' ' MET . 7.5 tp -79.72 98.52 7.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.62 -158.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.247 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.11 45.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 79' ' ' THR . 5.5 p 40.95 66.86 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 81' ' ' PRO . 1.8 t80 -167.69 148.79 4.9 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.585 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -75.06 -21.35 15.47 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.979 0.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -148.32 -50.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.2 116.36 2.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.34 3.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.496 1.788 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.56 4.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.445 1.761 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.7 mt -117.85 94.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 40.0 m -116.1 131.87 56.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' CB ' ' HB3' ' A' ' 73' ' ' CYS . 19.7 m-85 -137.28 173.19 11.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.0 p -131.2 152.6 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.245 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -118.16 80.04 15.09 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -170.25 0.75 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 p -118.69 -139.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.21 -42.87 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.47 -8.14 57.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.5 mtt -65.74 -173.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.0 m -151.36 86.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.391 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -58.39 134.23 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.379 1.049 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 102.03 11.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 72.3 p -82.73 138.06 34.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.07 -136.96 4.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 47.76 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 0.738 . . . . 0.0 109.369 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.568 ' CD2' HD11 ' A' ' 111' ' ' LEU . 3.6 m80 -163.74 -56.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.656 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.6 t -112.06 170.47 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -117.68 -58.23 2.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 163.07 -38.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.7 0.79 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.53 23.94 44.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.02 119.14 38.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.47 138.48 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -148.39 100.28 3.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 102' ' ' HIS . 0.6 OUTLIER -177.26 177.42 0.45 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 111' ' ' LEU . 18.3 Cg_endo -74.99 74.71 3.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -117.64 -43.9 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.77 -41.8 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 112' ' ' PRO . 2.0 p-80 -93.5 40.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.33 -71.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.46 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 37.7 t-105 -75.0 -84.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.549 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.8 tttt 44.34 47.33 7.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.932 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -51.78 -46.04 91.9 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 109.603 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.932 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.04 -51.98 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 120.946 -2.522 . . . . 0.0 110.998 0.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.541 ' CD ' ' C ' ' A' ' 121' ' ' GLN . 0.0 OUTLIER 60.79 -69.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 120' ' ' PRO . 4.7 t -38.41 146.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.06 174.24 6.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.377 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.41 ' CD1' HD13 ' A' ' 76' ' ' LEU . 1.2 tp -47.05 -45.6 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.6 mp -58.83 -45.98 88.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.25 -34.26 74.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.8 tt -50.87 -60.26 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.784 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.463 ' CG2' HD12 ' A' ' 59' ' ' ILE . 3.3 mt -61.79 -35.61 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -52.14 -44.9 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 93.3 t -60.95 -38.35 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' A' ' 72' ' ' ILE . 2.2 ttm -64.89 -43.19 93.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.476 HD11 ' CD1' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -59.47 -30.17 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 t -77.72 -41.96 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.405 HG13 ' NE2' ' A' ' 102' ' ' HIS . 79.3 t -69.38 -50.38 52.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.614 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 4.2 m-85 -75.02 -6.77 51.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -92.41 -40.19 5.15 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -55.64 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.58 151.46 39.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.614 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.98 -27.84 9.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 13.0 p -173.9 56.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 16.5 p90 -55.89 128.02 33.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' B' ' 208' ' ' THR . 17.7 t -103.04 -177.49 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.937 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.435 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.2 OUTLIER -79.19 154.78 77.26 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.266 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 111.029 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -50.82 151.21 4.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.47 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -75.01 -81.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.494 1.786 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.539 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.44 -56.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 87.04 149.06 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.568 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.08 139.31 23.93 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.392 1.733 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.98 169.86 21.69 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.81 -151.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 p -101.0 6.91 9.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER -60.87 -15.31 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.037 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' OE1' ' CG1' ' A' ' 22' ' ' VAL . 4.6 tm-20 -39.08 -41.96 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -49.05 77.08 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -70.25 -25.44 63.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 1.076 . . . . 0.0 110.332 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' MET . 1.3 tp -56.3 -60.08 4.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.2 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -51.85 -25.82 8.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -29.26 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -72.22 -19.8 61.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -94.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.93 17.58 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -37.78 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.59 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 3.5 m-30 -48.2 144.7 3.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -44.0 -52.64 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.378 1.049 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 34.3 m-85 -127.2 68.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.35 -36.97 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -54.45 42.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.01 -35.51 71.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 15' ' ' TYR . 48.0 m -69.39 -55.71 9.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.436 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.434 ' CG1' ' OE1' ' A' ' 5' ' ' GLU . 39.2 t -52.04 -43.42 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.223 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -30.0 70.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -42.94 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.3 m -66.52 -45.14 80.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' THR . 26.5 m -63.75 -46.45 94.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -47.22 -46.06 23.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 31' ' ' LEU . 38.6 t -57.12 -69.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.5 pt -53.83 -20.62 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' VAL . 14.4 m -81.72 -19.25 41.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -98.29 -53.64 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CZ ' HG22 ' A' ' 128' ' ' ILE . 95.8 m-85 -89.92 -51.63 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt 70.97 10.04 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.66 -21.15 13.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' CD1' ' CG2' ' A' ' 59' ' ' ILE . 1.1 mp -75.89 170.27 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.36 113.84 3.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 120.1 5.92 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -113.81 159.64 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.23 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.439 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -116.42 129.5 56.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 41' ' ' SER . 51.3 t0 -151.82 162.3 41.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.412 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.4 t -128.72 133.3 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.1 t80 -121.36 157.36 30.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 m -84.29 142.28 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 43.9 m-85 -145.72 -67.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -51.99 93.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.229 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' PHE . 36.2 t0 46.6 26.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 92.09 51.55 2.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 t -121.51 120.66 35.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 p -45.46 146.09 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.051 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -147.21 136.85 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -75.53 124.92 28.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -150.09 171.43 16.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 ttm -116.64 158.4 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 5.3 p-10 -148.24 158.52 44.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 55' ' ' LEU . 4.3 mm? -117.0 147.45 42.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 t -161.75 143.01 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.75 -169.51 41.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.374 1.046 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 p -118.34 99.46 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.382 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.462 ' CG2' ' CD1' ' A' ' 35' ' ' LEU . 7.4 pt -82.29 144.63 50.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 113.6 3.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 t -100.43 108.98 55.61 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.411 ' CA ' HG23 ' A' ' 67' ' ' THR . 18.5 Cg_endo -74.96 149.22 36.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.822 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.511 ' CE1' ' HG2' ' B' ' 210' ' ' PRO . 0.6 OUTLIER -132.91 24.84 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 66.68 83.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.261 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.15 -22.49 10.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.02 170.12 18.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.411 HG23 ' CA ' ' A' ' 62' ' ' PRO . 6.8 m -152.18 107.8 3.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 2.0 m-85 -89.26 -167.52 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -126.46 112.92 16.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.422 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -109.14 143.59 27.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.472 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.0 153.84 42.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.0 mm -142.24 147.03 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.5 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 1.7 t -153.18 130.72 11.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.4 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 1.7 pt? -163.84 156.23 17.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -94.81 169.83 9.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 107.975 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.482 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 1.3 tp -126.7 115.52 19.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.59 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -55.81 -169.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.535 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -145.14 24.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 79' ' ' THR . 2.2 m -140.81 16.88 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -44.64 154.96 0.4 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.521 ' HA ' ' CG ' ' A' ' 80' ' ' TYR . 18.4 Cg_endo -74.94 132.44 27.56 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.054 -2.477 . . . . 0.0 110.985 -0.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.433 ' N ' ' HA ' ' A' ' 80' ' ' TYR . 0.4 OUTLIER -148.33 -44.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 4.4 t-20 75.06 110.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.54 14.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 110.958 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -2.16 12.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.0 mm -86.02 89.55 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.402 ' HB3' ' CE ' ' A' ' 131' ' ' MET . 38.7 m -129.42 105.15 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.27 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 23.3 p90 -136.35 140.9 43.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 6.1 p -86.96 147.9 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -116.8 83.82 14.81 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.98 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.431 1.753 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.0 p -109.47 -160.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.451 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.83 -29.78 12.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -81.71 -6.48 59.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.1 mtt -82.49 -175.68 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.3 m -146.15 99.3 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.429 ' N ' HG21 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -67.2 135.04 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.52 129.7 54.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 30.1 p -98.1 139.09 34.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.406 1.066 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.88 -133.33 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.604 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 3.4 mmtt -96.81 43.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.797 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 8.8 m-70 -160.16 -61.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.061 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.6 t -103.54 137.06 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.8 OUTLIER -89.81 -67.85 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -178.54 54.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -167.44 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 123.5 -5.88 9.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.52 1.137 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -76.7 136.0 39.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.8 mt -81.39 141.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -137.35 84.27 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.165 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 102' ' ' HIS . 17.3 mt -154.76 142.5 14.04 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 52.1 2.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.559 1.821 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 9.7 p90 -88.56 -31.82 18.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -79.77 -28.32 40.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -96.93 31.49 2.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.586 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.23 -64.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.419 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.2 t-105 -62.92 -80.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.031 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.521 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 5.2 tttt 43.8 41.29 3.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.938 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.2 -46.31 97.88 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.562 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.938 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.02 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.956 0.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.4 tm0? 61.16 -67.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -48.02 152.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.22 176.78 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -48.33 -39.86 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.55 -52.48 65.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.58 -28.91 74.08 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.87 -58.79 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.527 HG22 ' CZ ' ' A' ' 32' ' ' TYR . 3.9 mt -59.57 -23.77 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.98 -43.12 72.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.18 -42.17 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.402 ' CE ' ' HB3' ' A' ' 87' ' ' CYS . 5.9 mtt -64.22 -37.13 86.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 mt -64.69 -28.5 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.59 -45.05 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.516 HG12 ' CE1' ' A' ' 102' ' ' HIS . 53.4 t -71.8 -50.84 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -70.5 -16.77 62.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -85.31 -31.89 21.26 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.62 -51.44 5.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 1.0 OUTLIER -106.12 142.27 24.49 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.86 3.66 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.389 1.731 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 138' ' ' GLU . 18.1 Cg_endo -75.02 -29.24 8.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.429 HG21 ' N ' ' A' ' 97' ' ' ILE . 11.1 p -168.87 56.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 36.2 p90 -57.89 123.27 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.0 OUTLIER -81.13 171.08 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.42 125.28 29.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 pt-20 -50.73 148.47 7.13 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' B' ' 208' ' ' THR . 18.4 Cg_endo -74.95 -86.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.42 -54.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 85.98 149.81 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.511 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.06 140.41 25.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.95 175.52 11.12 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.82 155.34 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 110.32 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.1 p -83.63 -0.71 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.5 OUTLIER -82.07 -15.52 53.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.99 -46.16 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -59.51 -42.66 92.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -77.03 -21.1 55.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.7 OUTLIER -65.4 -36.32 83.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HE3' ' NH2' ' A' ' 18' ' ' ARG . 54.4 tttt -65.82 -33.28 75.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -11.44 53.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.463 ' HG3' ' CD2' ' A' ' 39' ' ' LEU . 10.8 ttm -81.04 -29.1 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.45 HG23 ' CG2' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -90.27 -98.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 t 46.68 25.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 110.074 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 12.6 tttp -154.1 57.65 0.72 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -150.33 146.0 26.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HD3' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -43.2 -45.91 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.378 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.415 ' CE2' ' HD3' ' A' ' 16' ' ' LYS . 56.7 m-85 -131.65 76.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' NH2' ' HE3' ' A' ' 9' ' ' LYS . 18.0 ttp180 -59.85 -39.59 85.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -55.77 18.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.36 -35.24 76.9 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -70.39 -56.84 5.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 4.0 t -56.7 -28.82 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -32.5 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.219 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -41.05 44.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 m -67.42 -50.86 57.55 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.444 1.09 . . . . 0.0 110.451 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 22' ' ' VAL . 31.7 m -57.0 -41.45 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -56.01 -42.12 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.445 HG12 ' CE2' ' A' ' 32' ' ' TYR . 22.4 t -61.21 -65.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' LYS . 35.3 pt -56.5 -23.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -71.96 -27.52 62.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -88.52 -45.47 9.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.486 ' CE2' HG23 ' A' ' 128' ' ' ILE . 15.9 m-85 -87.07 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER 83.46 6.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 -24.52 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.35 139.34 45.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -123.45 116.7 28.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 128.99 11.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -122.16 162.85 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -113.74 140.66 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 52' ' ' LEU . 45.1 p30 -143.53 152.27 41.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -133.64 119.67 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.087 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.1 t80 -129.69 162.17 28.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.43 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 3.4 m -82.75 135.15 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 24.0 m-85 -139.68 -62.08 0.53 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -56.23 92.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 46.3 27.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.88 61.38 1.36 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.39 111.78 9.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 110.054 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.63 135.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.98 137.19 29.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.48 128.11 35.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.403 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -143.7 147.46 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.37 155.6 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 1.8 p-10 -152.12 146.62 25.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -99.19 142.88 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.409 ' OG1' ' NZ ' ' A' ' 90' ' ' LYS . 3.1 t -156.25 135.8 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.86 -176.21 43.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 p -107.48 110.14 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.382 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.6 mt -85.66 137.28 36.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 111.37 3.31 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.26 115.29 60.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 134.77 18.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.36 -174.8 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 48.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.55 -35.8 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -175.33 -175.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.739 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.7 m -114.23 104.37 12.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 3.3 m-85 -81.7 -167.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.88 118.59 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 109.38 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.407 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -108.28 141.83 24.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 146.49 32.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.0 mm -136.43 150.44 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.564 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 42.5 t -154.33 127.81 8.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 108.277 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 1.9 pt? -159.65 145.25 15.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.499 ' O ' ' CG ' ' A' ' 84' ' ' PRO . 32.3 m95 -83.78 -178.98 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 107.969 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.64 106.03 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt -76.8 -167.59 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -85.88 -58.89 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 t -174.19 64.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 81' ' ' PRO . 1.5 t80 178.37 96.37 0.15 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 80' ' ' TYR . 18.1 Cg_endo -75.09 -164.19 3.5 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.934 0.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -56.15 -16.86 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.46 168.9 12.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.499 ' CG ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.97 124.13 8.41 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -12.47 21.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.812 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.419 HG21 ' CD1' ' A' ' 75' ' ' TRP . 4.2 mp -90.48 98.4 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.3 m -132.08 117.11 17.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 108.31 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' SG ' ' A' ' 73' ' ' CYS . 49.1 p90 -152.33 159.59 43.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.146 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 107' ' ' GLY . 13.3 p -97.7 146.59 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' NZ ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -120.05 81.67 28.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 156.48 43.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.8 p -71.59 -167.11 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -33.51 13.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.959 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.62 -17.92 59.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.0 mtt -63.66 -171.84 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.2 m -145.22 106.25 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.62 131.77 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.06 89.15 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 p -65.18 141.86 58.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.81 -148.38 8.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.584 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 0.0 OUTLIER -90.16 45.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 0.768 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 14.3 m170 -153.51 -50.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.568 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.4 t -111.22 166.67 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.84 -61.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 177.42 -36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.84 -18.1 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.23 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 89' ' ' VAL . . . 115.6 -5.11 21.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 137.85 45.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.6 mt -68.96 122.93 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' A' ' 110' ' ' TYR . 20.0 t80 -105.96 35.76 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 1.0 OUTLIER -117.43 121.95 31.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.83 4.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 27.9 m-85 -70.67 -20.12 62.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.7 tp -79.81 -31.42 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.232 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.99 20.31 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -115.88 -75.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 44.7 t-105 -62.59 -78.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 108.048 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.507 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 39.51 39.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.95 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -52.52 -46.22 95.42 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 109.56 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.95 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.99 -45.37 0.46 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.023 -0.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 25.5 tp60 60.53 -66.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 120' ' ' PRO . 8.2 t -40.77 157.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.941 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 126' ' ' GLY . 51.3 m-20 -131.25 167.56 19.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.1 tp -43.35 -39.64 3.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.68 -46.47 88.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -70.24 -21.76 77.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.29 -61.02 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.486 HG23 ' CE2' ' A' ' 32' ' ' TYR . 4.8 mp -63.78 -38.97 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.12 -46.43 68.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.22 -35.54 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.95 -34.3 73.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.6 -31.95 54.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.9 t -76.29 -32.86 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.6 t -77.19 -39.44 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.2 m-85 -103.81 32.5 3.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -123.49 -39.45 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.13 -50.88 14.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -106.0 155.52 38.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.563 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -75.08 -26.72 10.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 14.9 p -173.01 61.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 16.8 p90 -59.35 129.54 42.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 6.4 t -98.11 178.28 5.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' OG ' ' A' ' 143' ' ' SER . 6.4 ppt_? -64.66 155.5 81.65 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.04 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -49.59 149.17 4.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.45 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.4 Cg_endo -74.97 -85.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.555 1.818 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.557 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.39 -55.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.382 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 87.62 148.34 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.575 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 137.61 21.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.447 1.762 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 -176.5 2.92 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -104.55 158.58 16.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.1 pp20? . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -105.02 -13.05 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -59.57 -29.97 68.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.399 1.062 . . . . 0.0 110.05 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 4' ' ' SER . 3.8 m -71.94 -55.88 6.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -31.22 70.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 2.7 tp -56.31 -51.91 66.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -26.47 64.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -13.06 55.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 39' ' ' LEU . 28.0 mtm -91.34 -13.69 32.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -109.82 -100.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.44 23.4 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -129.3 -45.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.475 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.7 m-85 -37.58 142.32 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 79' ' ' THR . 0.6 OUTLIER -55.83 -25.33 41.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -140.1 61.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 10.1 ttp-105 -49.18 -47.15 46.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -59.75 -54.08 50.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.21 -42.75 77.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.614 1.196 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.475 HG21 ' CD2' ' A' ' 15' ' ' TYR . 85.7 m -64.61 -57.15 9.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 4.5 t -54.29 -43.47 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 12.9 ttt-85 -60.1 -27.96 67.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 8.3 mt-10 -78.16 -29.05 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 m -87.45 -44.9 10.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 9.5 m -51.42 -52.8 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' CG ' ' N ' ' A' ' 28' ' ' VAL . 5.1 p-10 -64.21 -46.82 82.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 2.8 t -53.7 -61.68 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' LYS . 10.3 pt -59.12 -31.5 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 12.1 m -76.39 -16.14 59.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.19 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 32' ' ' TYR . 4.5 tp -89.84 -43.17 10.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.231 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CE1' HD23 ' A' ' 31' ' ' LEU . 8.9 m-85 -99.37 -56.64 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' ILE . 1.0 OUTLIER 78.81 2.73 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -106.26 -20.75 13.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.407 ' CD1' HG21 ' A' ' 59' ' ' ILE . 1.1 tp -85.67 137.92 32.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -119.43 115.77 33.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 122.91 7.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.2 m -117.49 154.89 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' CB ' ' SD ' ' A' ' 11' ' ' MET . 1.4 tm? -106.13 115.1 29.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.22 152.92 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -153.51 109.19 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.595 1.184 . . . . 0.0 109.985 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.1 t80 -143.31 168.52 19.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.447 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 13.8 m -83.88 141.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.4 m-85 -145.6 -65.15 0.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -52.93 97.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t70 50.11 25.85 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.28 55.09 3.15 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -128.72 121.44 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 0.735 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.76 140.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' HG2' ' N ' ' A' ' 51' ' ' GLU . 7.4 ttm180 -146.2 135.94 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 1.1 tt0 -97.23 143.34 28.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.534 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -174.33 146.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.446 ' N ' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -90.98 134.84 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' CG ' ' N ' ' A' ' 55' ' ' LEU . 4.6 t30 -116.82 157.95 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' N ' ' CG ' ' A' ' 54' ' ' ASN . 1.2 mm? -114.69 139.38 49.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -146.94 157.15 43.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.79 -165.47 25.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.2 p -126.22 133.66 51.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.407 HG21 ' CD1' ' A' ' 35' ' ' LEU . 39.4 pt -106.42 149.39 38.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.59 3.83 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.437 1.757 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.77 109.76 59.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.04 40.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.92 -149.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -21.84 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 66' ' ' ASN . . . 176.23 37.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' CG ' ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -164.26 135.72 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.4 m -111.04 103.03 11.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.3 m-85 -88.04 -165.24 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.67 117.73 19.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.87 149.73 40.38 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.394 1.059 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.409 ' CB ' ' O ' ' A' ' 90' ' ' LYS . 18.3 Cg_endo -75.06 150.42 37.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mm -143.03 138.79 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.473 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 12.1 t -140.35 125.73 18.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.495 ' CD1' ' SG ' ' A' ' 87' ' ' CYS . 4.0 mm? -134.86 125.41 26.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -93.18 84.29 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -70.39 102.78 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.96 -176.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 177.99 54.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.453 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.518 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 2.5 m-85 -162.05 138.99 6.25 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -74.98 -21.67 14.97 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.012 -0.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.82 -42.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.49 167.95 18.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 113.29 3.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.4 ' HA ' ' CD1' ' A' ' 114' ' ' LEU . 18.1 Cg_endo -75.01 -43.88 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.446 1.761 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.59 104.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 61.4 m -138.51 116.49 11.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 108.381 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 73' ' ' CYS . 13.8 p90 -159.95 173.19 16.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.26 154.52 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 9.8 mmtt -118.63 85.23 26.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 177.74 8.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.437 1.756 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.6 p -97.37 -163.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.91 -37.47 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -11.41 60.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.177 . . . . 0.0 109.95 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.1 mtt -71.14 -173.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.073 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.9 m -152.68 103.85 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.5 144.4 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -119.81 100.89 7.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 24.0 p -66.1 139.28 58.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.4 -148.3 6.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -89.31 50.08 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 0.802 . . . . 0.0 109.259 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.423 ' CD2' HG13 ' A' ' 134' ' ' VAL . 6.0 m170 -164.44 -55.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.614 1.196 . . . . 0.0 109.59 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.6 t -112.49 151.31 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.8 OUTLIER -94.85 -54.77 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 172.6 -39.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.63 -6.45 44.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.83 26.1 46.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -106.58 121.92 45.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.1 mt -57.03 129.05 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.533 ' CG ' ' O ' ' A' ' 110' ' ' TYR . 75.2 t80 -128.7 47.28 2.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 102' ' ' HIS . 1.7 mm? -123.29 160.01 52.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.4 3.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.779 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CE2' HG22 ' A' ' 134' ' ' VAL . 2.8 m-85 -101.32 -42.49 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -77.6 -38.48 48.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.76 44.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -125.03 -76.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.471 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 5.0 t90 -66.76 -83.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.534 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.1 tttt 41.19 49.52 3.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.988 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -55.9 -44.68 99.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.988 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.99 -50.64 0.18 OUTLIER 'Cis proline' 0 C--N 1.361 1.215 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.982 -0.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 17.5 tp60 62.8 -65.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 120' ' ' PRO . 2.9 t -47.43 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.9 169.66 15.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.4 mp -40.53 -44.22 2.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.46 ' CD1' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -52.39 -62.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.15 -37.63 59.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.0 tt -64.36 -58.27 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.427 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 5.6 mt -61.22 -34.62 61.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -54.72 -46.13 74.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.54 -47.3 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 18.6 ttm -59.49 -38.82 81.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 23.0 mt -61.27 -33.52 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.0 t -80.1 -39.17 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.517 HG22 ' CE2' ' A' ' 113' ' ' TYR . 88.4 t -69.16 -36.6 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 4.9 m-85 -110.23 33.25 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -121.45 -42.4 0.46 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.536 1.147 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -69.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 0.716 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -84.96 155.78 60.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.404 1.065 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.21 3.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.557 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.4 Cg_endo -74.97 -28.52 9.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.439 1.758 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 7.1 p -170.19 59.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -56.06 137.08 51.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.596 1.185 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.1 t -103.28 174.22 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.419 ' N ' ' OG ' ' A' ' 143' ' ' SER . 1.5 ptt85 -62.09 155.98 61.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.953 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -52.25 151.27 7.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.465 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.99 -84.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.542 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 76.14 -55.81 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.408 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 86.75 151.5 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . 0.508 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.06 139.73 24.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.573 1.828 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.01 163.75 34.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.43 -15.21 18.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.76 -23.78 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -56.9 -22.49 37.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -38.65 -28.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.4 t -68.66 -53.3 23.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -79.81 -25.39 40.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.551 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.31 -34.47 77.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.5 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 7.5 ttmt -73.49 -29.52 62.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -21.6 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.7 mtp -67.24 -13.18 61.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.545 HG11 ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -114.4 -90.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.584 1.178 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 45.3 t 67.28 -60.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' VAL . 13.3 tttt -86.52 54.06 3.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.545 ' CE1' HG11 ' A' ' 12' ' ' VAL . 1.2 m-85 -125.49 127.82 47.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -39.91 -61.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -105.2 55.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -51.67 -40.4 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -70.24 -57.75 4.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -39.46 63.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -70.27 -55.24 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.451 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.477 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 3.6 t -49.68 -38.73 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -39.16 63.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -41.8 91.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.0 m -65.95 -59.43 3.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.486 ' O ' ' CB ' ' A' ' 30' ' ' THR . 28.2 m -55.89 -40.89 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -54.6 -47.21 73.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 t -55.96 -68.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.4 pt -52.86 -27.49 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 5.3 m -74.91 -30.22 61.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.133 . . . . 0.0 110.382 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tt -85.59 -46.75 10.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 45.1 m-85 -92.14 -67.89 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 1.3 ttpp 87.59 12.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -109.68 -22.6 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.42 174.49 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -153.75 117.77 2.71 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HA ' ' CD2' ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.05 129.15 12.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -132.75 162.7 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -116.52 148.06 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -140.88 160.23 40.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -133.46 142.88 48.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -159.17 145.33 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.523 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 3.7 m -78.63 140.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 21.9 m-85 -147.82 -55.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -56.95 87.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 17.7 t70 49.49 23.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.16 59.9 1.03 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -139.34 118.33 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 0.816 . . . . 0.0 109.949 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -38.12 141.86 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 42' ' ' TYR . 6.5 ttm180 -137.48 140.09 40.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.41 114.36 22.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' CD2' ' CD2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -133.08 141.46 48.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.0 ttp -89.03 162.66 15.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 3.0 p-10 -163.35 149.61 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 37' ' ' PRO . 28.8 mt -113.76 161.67 17.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 t -165.95 145.18 6.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.1 -171.38 36.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 p -112.11 107.47 16.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 0.725 . . . . 0.0 110.445 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.1 pt -85.2 149.48 52.7 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 114.71 4.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.49 103.89 53.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 153.64 41.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.38 20.96 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 71.26 75.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.286 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.89 -31.43 3.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -152.22 146.9 25.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.1 m -125.53 115.22 19.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.1 m-85 -90.18 -168.22 2.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.07 115.23 23.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.53 128.47 25.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.3 Cg_endo -74.95 166.76 28.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -164.46 174.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.3 t -173.72 116.46 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 108.31 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 1.8 pt? -135.33 165.25 25.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.577 ' CD1' HG23 ' A' ' 86' ' ' ILE . 10.7 m0 -104.01 156.26 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 108.041 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.48 110.12 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.408 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -82.74 -173.5 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.9 OUTLIER -88.34 -48.04 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' A' ' 79' ' ' THR . 0.0 OUTLIER 173.4 63.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.418 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' PRO . 2.1 t80 179.21 82.14 0.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -75.04 177.92 36.96 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.976 0.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -66.44 -11.51 52.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.465 ' OD1' ' CD1' ' A' ' 127' ' ' LEU . 0.4 OUTLIER -99.94 164.46 16.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 86' ' ' ILE . 18.1 Cg_endo -75.03 -173.7 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.577 HG23 ' CD1' ' A' ' 75' ' ' TRP . 6.1 mt 40.08 89.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 13.9 m -116.81 127.46 54.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 6.5 p90 -162.44 160.59 26.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.3 p -92.36 153.79 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.34 81.01 45.56 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.7 12.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 p -96.37 -139.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 110.465 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.72 -44.1 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.433 1.083 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -14.61 61.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.476 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 0.0 OUTLIER -77.22 -173.81 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.068 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.496 ' O ' ' CG2' ' A' ' 141' ' ' VAL . 4.9 t -152.44 130.06 11.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 98' ' ' LYS . 0.9 OUTLIER -81.37 162.75 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.454 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 3.0 tmtm? -131.18 104.26 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.8 p -78.94 138.55 38.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.85 -145.53 5.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 0.0 OUTLIER -88.99 45.48 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 11.3 m80 -163.31 -45.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.554 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.5 t -110.82 156.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.419 1.074 . . . . 0.0 109.327 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 105' ' ' ALA . 1.7 t0 -103.77 -58.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 104' ' ' ASP . . . 165.32 -30.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.61 2.54 50.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 87.38 0.11 84.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.69 120.26 24.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 23.5 mt -59.74 124.13 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -89.16 -47.35 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.08 107.8 0.64 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 59.77 5.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.3 p90 -82.81 -38.35 23.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.517 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 1.5 tt -57.81 -29.76 65.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.55 36.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.64 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -128.33 -48.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 37.4 t-105 -72.84 -81.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 107.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.522 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.5 ttpm? 37.6 40.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.974 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -54.77 -45.3 99.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.563 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.974 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.01 -48.67 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.999 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 25.1 tp60 65.02 -61.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 120' ' ' PRO . 5.1 t -49.98 162.9 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -129.76 162.43 28.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.56 -40.49 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.3 mp -64.72 -46.59 81.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.56 -31.85 77.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.051 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.465 ' CD1' ' OD1' ' A' ' 83' ' ' ASN . 3.2 tt -57.18 -60.75 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.06 -30.22 38.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -44.28 88.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.12 -45.03 96.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 2.5 ttm -61.96 -34.44 76.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.408 ' CD1' ' OH ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -62.36 -38.13 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.18 -34.98 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.7 t -72.5 -49.4 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.65 -1.67 47.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.66 -25.29 13.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -47.68 11.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.01 151.65 45.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 112.82 3.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -28.27 9.2 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 7.5 p -170.42 59.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 27.1 p90 -66.57 114.22 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 6.2 t -81.51 177.97 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 143' ' ' SER . 30.9 ptt180 -93.15 155.74 40.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 151.92 63.24 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 207' ' ' PRO . . . . . 0.476 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.95 -81.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 208' ' ' THR . . . . . 0.569 ' O ' ' CB ' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 74.37 -57.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.173 . . . . 0.0 110.399 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' B' ' 208' ' ' THR . . . 89.7 152.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 146.23 32.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 211' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 178.43 7.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 160.47 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -41.01 -41.76 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -63.59 -45.13 91.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.939 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -73.07 -22.25 60.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.247 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.2 tp -60.99 -62.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HB2' HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -48.26 -24.44 1.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 8' ' ' LEU . 4.3 mttt -83.81 -37.21 22.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mtp -64.28 -10.01 21.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -117.84 -86.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t 47.55 30.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.064 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -129.39 -45.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 2.4 m-85 -38.61 154.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' CB ' HG21 ' A' ' 79' ' ' THR . 0.0 OUTLIER -53.02 -45.87 68.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -131.56 71.85 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.56 -54.03 10.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -55.92 -56.26 22.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.232 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -36.6 62.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -69.77 -58.4 3.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.848 ' O ' HG22 ' A' ' 26' ' ' VAL . 38.6 t -51.04 -34.14 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -71.11 -34.93 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -73.68 -37.25 65.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.476 HG23 HD11 ' A' ' 55' ' ' LEU . 11.9 m -69.39 -55.16 11.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.441 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 22' ' ' VAL . 16.0 m -52.65 -42.32 40.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -54.39 -47.23 72.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.672 HG22 ' HG ' ' A' ' 125' ' ' LEU . 43.6 t -56.53 -67.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 33' ' ' LYS . 41.0 pt -54.34 -24.27 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.9 m -76.77 -19.73 57.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.46 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.621 HD23 ' CE1' ' A' ' 32' ' ' TYR . 1.2 tp -94.62 -37.91 11.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.621 ' CE1' HD23 ' A' ' 31' ' ' LEU . 22.5 m-85 -96.38 -58.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER 82.01 1.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.19 -23.73 12.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.607 HD13 HG12 ' A' ' 59' ' ' ILE . 1.2 tp -82.2 163.6 21.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.6 OUTLIER -151.28 130.07 6.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' HG21 ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.05 125.43 9.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.471 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -111.06 157.26 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.675 HD13 ' H ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -113.0 143.69 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.675 ' H ' HD13 ' A' ' 39' ' ' LEU . 1.2 p30 -141.82 145.84 35.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -125.66 106.66 9.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.948 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 1.9 t80 -126.76 168.36 14.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.1 m -89.74 150.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD2' ' HD2' ' A' ' 50' ' ' ARG . 52.9 m-85 -154.26 -66.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.993 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.7 m-20 -51.51 93.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' PHE . 32.0 t0 44.16 27.46 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.89 53.28 2.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -128.63 123.58 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.793 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p -43.34 136.55 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HD2' ' CD2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -149.01 137.07 20.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.426 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -71.52 132.15 44.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.44 HD12 ' CE2' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -140.24 132.26 27.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.84 168.99 10.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' ND2' HG13 ' A' ' 38' ' ' VAL . 4.3 p-10 -172.02 150.29 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.625 ' HB2' HD11 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -100.41 144.5 29.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 36' ' ' LYS . 9.8 t -151.84 153.07 33.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.45 170.76 13.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.5 p -97.97 113.01 24.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 0.769 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.694 HD13 HD11 ' A' ' 132' ' ' ILE . 63.9 mt -81.07 142.13 51.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.691 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.02 91.24 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.47 114.72 51.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.417 ' HA ' ' HG1' ' A' ' 67' ' ' THR . 18.6 Cg_endo -74.87 159.31 41.94 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.77 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.3 -162.59 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -11.45 60.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 66' ' ' ASN . . . 179.47 36.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 4.9 m120 -163.8 -177.06 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.417 ' HG1' ' HA ' ' A' ' 62' ' ' PRO . 41.1 m -157.25 105.15 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.533 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 7.3 m-85 -93.26 -174.29 3.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -124.53 116.98 23.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.191 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.423 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -111.82 129.31 24.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.822 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.04 145.66 31.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.541 HD11 ' CD2' ' A' ' 135' ' ' PHE . 6.9 mt -152.92 143.61 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.8 t -143.22 133.1 24.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 108.271 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.834 ' O ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -143.89 144.33 31.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.425 ' O ' ' CB ' ' A' ' 84' ' ' PRO . 30.1 m95 -86.1 133.34 33.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 107.954 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -99.04 112.32 24.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mt -66.82 -173.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.566 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 p-10 -77.77 -59.32 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 1.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.425 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.2 Cg_endo -75.04 114.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -17.72 19.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.607 1.846 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mt -85.91 90.16 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 84' ' ' PRO . 37.4 m -135.38 97.94 3.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -127.81 156.8 41.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 71' ' ' PRO . 8.3 p -84.94 145.31 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 79.3 22.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.48 33.28 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 111.055 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 65.8 p -81.63 -150.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -16.45 12.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.62 5.87 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.06 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.0 mtt -95.63 -169.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 m -150.31 95.73 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.552 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.4 OUTLIER -63.12 139.94 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.601 1.188 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -112.58 123.35 50.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 104' ' ' ASP . 67.0 p -76.36 140.15 41.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -164.49 -155.82 8.59 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.92 -20.94 32.13 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.427 0.722 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.568 ' CE1' HD11 ' A' ' 111' ' ' LEU . 17.8 m-70 -94.67 -38.1 10.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.626 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.462 HG13 ' HA2' ' A' ' 107' ' ' GLY . 50.1 t -119.42 147.97 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.79 ' O ' HG22 ' A' ' 99' ' ' THR . 4.5 t0 -104.63 -54.3 2.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.484 ' O ' HG21 ' A' ' 97' ' ' ILE . . . 179.16 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.52 -7.66 54.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.678 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 83.56 22.76 55.55 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.11 121.7 32.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.9 mt -60.2 130.93 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -89.57 -161.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 102' ' ' HIS . 4.8 mt 68.2 159.97 0.14 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.6 Cg_endo -74.89 -45.53 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 59.94 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 112' ' ' PRO . 2.0 tp -56.83 -33.75 67.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -98.72 23.5 8.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.626 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -122.03 -71.77 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.412 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 47.1 t-105 -68.63 -81.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.576 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 41.16 41.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.987 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -52.3 -46.02 94.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.586 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.987 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.95 -49.29 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.047 0.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.2 tm0? 62.77 -62.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.8 t -52.64 161.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 126' ' ' GLY . 67.5 m-20 -134.28 168.74 18.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -40.99 -42.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.672 ' HG ' HG22 ' A' ' 28' ' ' VAL . 6.6 mp -66.87 -48.3 69.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -56.91 -36.52 73.57 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.47 -57.77 11.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 124' ' ' LEU . 2.5 mp -65.86 -15.79 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.414 ' O ' HG23 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -78.7 -40.67 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.23 -47.79 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.423 ' SD ' ' HA ' ' A' ' 128' ' ' ILE . 11.7 ptp -62.86 -35.95 81.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 59' ' ' ILE . 41.9 mt -65.84 -32.19 57.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 129' ' ' GLN . 33.2 t -70.62 -35.69 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.399 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.562 HG11 ' ND1' ' A' ' 102' ' ' HIS . 25.1 t -81.57 -41.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.541 ' CD2' HD11 ' A' ' 72' ' ' ILE . 4.2 m-30 -73.59 -8.12 54.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -97.11 -31.81 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -77.74 -54.78 5.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 0.799 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.41 153.94 43.22 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.34 3.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.7 9.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.449 1.763 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 97' ' ' ILE . 10.1 p -172.06 55.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 34.7 p90 -54.07 130.08 36.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' B' ' 208' ' ' THR . 0.4 OUTLIER -83.67 173.62 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.009 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.415 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -109.42 157.64 36.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 206' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.8 pt-20 -51.39 148.89 8.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.99 -89.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.69 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 80.01 -54.5 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 85.8 150.76 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.516 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.05 137.87 22.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.78 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.533 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.05 172.62 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 212' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -93.89 163.12 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 110.237 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 213' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' B' ' 212' ' ' GLU . 4.7 pt-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.24 -42.3 73.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -44.8 92.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -39.2 88.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.633 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -55.66 -50.44 70.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -63.73 -25.48 68.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.96 -12.91 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.3 mtm -97.08 15.09 23.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -143.19 -100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.467 ' H ' HG23 ' A' ' 12' ' ' VAL . 3.3 t 70.39 -59.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -44.75 -30.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 2.2 m-85 -55.5 134.56 50.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB2' HG21 ' A' ' 79' ' ' THR . 14.7 tttt -41.78 -51.93 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -126.47 55.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -43.39 -27.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 2.4 t70 -72.58 -58.05 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -37.35 66.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CE2' ' A' ' 15' ' ' TYR . 64.6 m -68.03 -47.71 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.626 ' O ' HG22 ' A' ' 26' ' ' VAL . 2.6 t -57.53 -45.84 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -37.33 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -74.84 -36.24 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.542 HG23 HD21 ' A' ' 55' ' ' LEU . 88.0 m -70.76 -54.56 11.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 22' ' ' VAL . 33.5 m -54.69 -41.31 55.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -54.62 -49.68 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.377 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 29' ' ' ILE . 2.9 t -53.46 -67.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 35' ' ' LEU . 35.1 pt -52.32 -27.95 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.4 m -73.43 -27.47 61.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -84.52 -35.27 23.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.792 ' OH ' HG23 ' A' ' 128' ' ' ILE . 3.1 m-85 -84.88 -60.09 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 86.09 -8.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -113.59 -22.68 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.631 ' O ' HG22 ' A' ' 29' ' ' ILE . 3.9 tp -82.93 131.01 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -115.7 144.16 32.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.562 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.6 Cg_endo -74.89 132.58 15.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.763 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 56' ' ' THR . 0.8 OUTLIER -124.58 151.27 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.607 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -120.13 147.85 44.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.607 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.6 p30 -152.93 141.57 20.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -107.69 110.95 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.539 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 2.3 t80 -113.32 162.51 15.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.534 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 4.8 m -103.17 136.23 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CE1' ' CD2' ' A' ' 42' ' ' TYR . 16.9 m-85 -147.41 -54.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 90.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 52.09 24.32 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.3 35.6 7.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -107.14 128.16 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.996 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -54.36 142.29 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -148.0 156.68 42.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.366 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.33 123.0 29.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.559 HD13 ' C ' ' A' ' 52' ' ' LEU . 3.3 tm? -127.17 128.41 46.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.496 ' HG3' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -90.82 133.88 34.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 5.7 p-10 -144.4 164.16 31.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 37' ' ' PRO . 4.2 mt -122.13 157.88 30.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.528 ' HB ' HG11 ' A' ' 38' ' ' VAL . 1.1 t -156.96 159.09 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 110.365 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 134.89 -179.48 17.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.4 p -100.51 130.24 46.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 110.376 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.469 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 15.4 pt -100.73 147.63 33.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.0 Cg_endo -75.05 94.14 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -95.87 116.02 65.94 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 138.69 23.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -133.17 -179.77 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.403 ' O ' ' NH1' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -68.14 -11.36 59.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.05 -40.01 1.89 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 169.08 -178.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.5 m -91.28 107.88 19.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.379 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.7 m-85 -91.03 -167.65 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -122.78 110.91 16.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.447 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -112.59 127.84 26.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.679 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.0 152.14 40.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.572 1.827 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.446 HG12 HG23 ' A' ' 89' ' ' VAL . 2.4 mt -150.74 158.68 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 53.6 t -139.76 117.24 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.506 ' CD1' ' SG ' ' A' ' 87' ' ' CYS . 3.0 mm? -117.39 144.21 45.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.431 ' CD1' HG22 ' A' ' 86' ' ' ILE . 27.0 m95 -111.66 108.56 18.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 107.989 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.76 HD11 HD21 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -93.95 120.7 34.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.495 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -76.87 -167.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.388 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 4.3 m-20 -83.48 -54.07 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.575 HG21 ' HB2' ' A' ' 16' ' ' LYS . 1.8 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HB3' HD12 ' A' ' 76' ' ' LEU . 18.2 Cg_endo -75.04 113.69 3.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.431 HG22 ' CD1' ' A' ' 75' ' ' TRP . 68.4 mt 49.84 94.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 26.8 m -127.97 119.14 24.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.08 165.44 35.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 107' ' ' GLY . 9.9 p -92.81 149.93 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.44 78.08 27.51 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.96 168.06 25.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.576 1.829 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 18.9 p -82.06 -140.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.07 -41.07 2.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -5.66 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.6 mtt -75.63 -170.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.4 m -151.8 96.07 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.611 HD11 ' CA ' ' A' ' 107' ' ' GLY . 1.3 tt -58.01 151.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -132.75 94.33 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 68.7 p -66.04 147.24 53.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.83 -140.16 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.83 47.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.308 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.434 ' CE1' HG13 ' A' ' 134' ' ' VAL . 11.1 m170 -162.35 -48.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.639 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.8 t -115.0 139.8 39.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.6 t70 -84.92 -67.53 0.79 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 172.47 39.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.05 15.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.801 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 57.78 33.94 69.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.127 . . . . 0.0 111.078 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 141.88 51.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.803 HD11 ' SD ' ' A' ' 131' ' ' MET . 2.8 mt -63.92 134.16 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 111' ' ' LEU . 24.5 t80 -81.12 -55.86 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.423 HD12 ' HE1' ' A' ' 113' ' ' TYR . 4.9 mt -39.78 147.51 0.34 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.3 Cg_endo -75.04 -38.03 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.759 ' OH ' HG21 ' A' ' 134' ' ' VAL . 3.5 m-30 57.33 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER -55.1 -34.75 63.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 29.33 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.638 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -133.07 -67.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.509 ' CD1' ' HB2' ' A' ' 122' ' ' SER . 34.1 t-105 -69.27 -77.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 107.995 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.56 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 39.67 40.63 0.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.153 . . . . 0.0 109.348 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.991 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -52.63 -45.86 96.12 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.991 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.9 -48.37 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.06 -0.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 61.39 -64.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.614 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.9 OUTLIER -54.74 155.27 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 110.037 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 126' ' ' GLY . 27.3 m-20 -133.35 170.72 15.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.76 HD21 HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -46.16 -39.8 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.26 -39.92 95.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -66.43 -52.48 35.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.4 tt -43.07 -54.34 4.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.776 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.792 HG23 ' OH ' ' A' ' 32' ' ' TYR . 1.5 mp -58.5 -36.45 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' GLY . 24.8 tt0 -63.24 -47.08 83.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.666 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.2 t -62.9 -42.17 95.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.803 ' SD ' HD11 ' A' ' 109' ' ' ILE . 4.9 tpp -64.19 -40.6 96.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.5 mt -57.76 -37.98 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.28 -51.59 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.759 HG21 ' OH ' ' A' ' 113' ' ' TYR . 55.8 t -50.33 -51.04 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -95.88 24.92 5.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.29 -9.2 13.46 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -105.47 -53.79 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 0.71 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 16.1 mp0 -101.92 149.84 36.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 138' ' ' GLU . 18.4 Cg_endo -75.01 -27.92 9.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 141' ' ' VAL . 13.1 p -171.22 61.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 21.9 p90 -62.76 131.21 48.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.0 t -94.76 162.92 13.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 143' ' ' SER . 11.7 mtt180 56.81 161.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.22 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 110.953 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 111.042 -0.407 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 206' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -52.45 150.67 8.59 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.48 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.94 -87.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.704 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 79.24 -56.22 0.42 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.0 152.37 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.447 ' CD ' HD12 ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.07 140.7 25.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.9 -170.91 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 212' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -100.0 -146.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 213' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.3 pp20? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -40.17 -44.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.11 -45.01 94.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.2 tp60 -68.42 -34.1 75.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' MET . 1.1 tp -54.5 -51.29 65.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.31 -25.17 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -80.64 -26.13 37.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.36 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.605 ' HB3' HD23 ' A' ' 39' ' ' LEU . 55.0 mtt -67.92 -18.43 64.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.559 HG12 ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.27 -88.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.85 -59.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.82 62.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.747 ' CE2' HG21 ' A' ' 21' ' ' THR . 0.2 OUTLIER -125.35 123.67 39.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.2 OUTLIER -39.85 -52.37 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.46 ' HD2' HG22 ' A' ' 79' ' ' THR . 0.6 OUTLIER -115.74 46.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 22' ' ' VAL . 38.2 ttp180 -43.88 -31.43 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -57.29 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 tp -53.65 -40.13 65.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.747 HG21 ' CE2' ' A' ' 15' ' ' TYR . 99.4 m -64.96 -52.35 56.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.966 ' O ' HG13 ' A' ' 26' ' ' VAL . 13.1 t -57.3 -36.58 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HA ' HG22 ' A' ' 26' ' ' VAL . 3.4 ttt180 -65.34 -29.94 70.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.179 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.589 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -75.95 -29.02 58.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.658 HG23 HD21 ' A' ' 55' ' ' LEU . 88.6 m -85.93 -50.4 7.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.966 HG13 ' O ' ' A' ' 22' ' ' VAL . 18.9 m -46.52 -54.59 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.243 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.589 ' ND2' ' HA ' ' A' ' 24' ' ' GLU . 6.4 p30 -62.05 -45.95 91.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.376 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.727 HG13 ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -53.75 -63.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.596 ' N ' HG12 ' A' ' 28' ' ' VAL . 6.0 pt -58.16 -34.03 48.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 18.4 m -73.58 -16.35 61.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.452 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.621 HD22 ' HG ' ' A' ' 125' ' ' LEU . 4.7 tp -88.1 -44.29 11.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.846 ' CZ ' HG21 ' A' ' 128' ' ' ILE . 4.2 m-85 -87.74 -57.22 3.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER 83.66 -3.09 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.388 1.055 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.39 -24.09 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.943 HD13 HG23 ' A' ' 59' ' ' ILE . 2.7 tp -86.79 140.2 29.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 10.4 ttmt -123.72 143.8 42.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.06 130.09 12.89 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.541 1.811 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 39' ' ' LEU . 2.3 p -127.28 164.29 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -128.32 135.29 49.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.48 158.61 43.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -130.48 146.78 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.066 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 1.7 t80 -150.01 156.56 41.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 m -83.41 139.87 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 42' ' ' TYR . 73.5 m-85 -144.35 -67.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.062 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 98.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t0 47.74 27.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.68 50.17 3.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.6 p -114.89 113.1 23.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -62.88 133.06 54.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.83 ' HD2' HD12 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -144.59 148.87 34.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.69 139.24 51.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.83 HD12 ' HD2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -150.2 129.16 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.476 ' CG ' HG13 ' A' ' 12' ' ' VAL . 3.5 mmm -60.83 158.55 12.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 9.0 t30 -167.99 152.93 6.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.658 HD21 HG23 ' A' ' 25' ' ' THR . 1.4 mt -118.65 155.8 30.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.7 t -158.2 150.12 21.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.3 171.83 16.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.403 HG22 ' HB3' ' B' ' 207' ' ' PRO . 35.5 p -102.64 99.11 9.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.741 . . . . 0.0 110.437 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.943 HG23 HD13 ' A' ' 35' ' ' LEU . 4.2 pt -69.43 149.27 97.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.96 90.1 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.054 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -73.86 114.03 28.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.7 41.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.782 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -128.26 -172.57 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -63.0 -12.41 25.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.08 42.26 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -169.37 -179.31 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 0.806 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.6 m -154.45 107.26 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 4.2 m-85 -97.68 -172.82 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -123.16 115.79 22.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -115.25 127.09 27.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.661 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.5 Cg_endo -75.0 145.68 31.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 73' ' ' CYS . 2.7 mt -152.65 161.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 1.1 m -141.89 125.91 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 108.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.753 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -129.74 132.6 46.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.715 ' HE3' HD22 ' A' ' 52' ' ' LEU . 10.4 m95 -95.11 152.67 18.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.986 HD11 HD11 ' A' ' 124' ' ' LEU . 1.2 mp -140.24 135.9 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.82 HD21 HD11 ' A' ' 52' ' ' LEU . 29.3 mt -94.5 -169.38 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.692 ' O ' HG23 ' A' ' 79' ' ' THR . 8.4 p30 -81.96 -51.39 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 78' ' ' ASP . 7.5 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.648 ' HB3' HD11 ' A' ' 114' ' ' LEU . 18.3 Cg_endo -74.98 54.23 3.57 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.413 1.744 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.753 ' O ' HD13 ' A' ' 74' ' ' LEU . 65.1 mt -111.05 85.16 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.667 ' HB2' HD12 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -119.75 125.08 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.528 1.143 . . . . 0.0 108.259 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.68 ' HE1' HG22 ' A' ' 86' ' ' ILE . 2.5 p90 -153.78 148.89 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 107' ' ' GLY . 8.7 p -90.08 151.25 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -123.0 76.39 50.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.605 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.04 168.38 24.93 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.5 1.789 . . . . 0.0 111.038 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.419 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 82.0 p -84.42 -164.03 0.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.44 -16.84 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -97.66 -2.24 41.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.434 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.8 mtt -81.29 -166.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.545 ' C ' HG23 ' A' ' 141' ' ' VAL . 56.6 m -150.13 108.04 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.921 HD11 ' HA2' ' A' ' 107' ' ' GLY . 1.2 tt -76.3 146.35 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -118.24 99.58 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.6 p -72.26 149.85 44.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.32 -138.24 5.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -92.42 47.07 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.654 ' NE2' HG13 ' A' ' 134' ' ' VAL . 12.4 m80 -157.71 -46.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.61 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 104' ' ' ASP . 1.5 t -117.98 177.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.602 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.0 OUTLIER -119.04 -55.04 2.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 168.8 -38.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.64 1.88 52.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.921 ' HA2' HD11 ' A' ' 97' ' ' ILE . . . 96.07 -20.85 48.22 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 128.78 35.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.667 HD12 ' HB2' ' A' ' 87' ' ' CYS . 18.0 mt -57.29 126.16 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -142.53 93.86 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -172.62 161.01 4.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.515 ' N ' HD22 ' A' ' 111' ' ' LEU . 18.1 Cg_endo -75.0 90.74 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.772 ' CE1' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -144.86 -52.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.648 HD11 ' HB3' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -74.26 -26.71 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 38.45 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.561 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.0 -66.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.51 ' CH2' ' CE1' ' A' ' 119' ' ' HIS . 30.6 t-105 -65.21 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.547 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER 43.42 41.05 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.6 -45.99 98.42 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.545 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -75.01 -46.36 0.38 Allowed 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.053 -0.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.5 tp-100 61.94 -67.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 120' ' ' PRO . 6.2 t -41.89 162.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 124' ' ' LEU . 4.8 m-20 -133.52 170.33 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.986 HD11 HD11 ' A' ' 76' ' ' LEU . 2.0 mm? -39.46 -53.02 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.621 ' HG ' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -53.33 -54.49 35.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.48 -41.43 80.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.562 1.164 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.18 -55.75 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.846 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 1.7 mt -62.78 -35.14 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.92 -46.81 88.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.336 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.772 HG11 ' CE1' ' A' ' 113' ' ' TYR . 2.9 t -66.65 -40.44 86.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.527 ' SD ' HD11 ' A' ' 109' ' ' ILE . 5.6 ttm -68.07 -36.38 79.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.539 HD12 HG22 ' A' ' 128' ' ' ILE . 11.0 mt -62.73 -35.2 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 30.8 t -77.39 -33.27 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.654 HG13 ' NE2' ' A' ' 102' ' ' HIS . 38.6 t -74.28 -46.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.03 -4.31 56.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.97 -48.55 2.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -31.23 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -123.88 146.52 51.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 113.9 3.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 18.3 Cg_endo -75.0 -27.74 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.545 HG23 ' C ' ' A' ' 96' ' ' THR . 8.6 p -172.96 57.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.471 ' CG ' ' O ' ' A' ' 142' ' ' PHE . 21.5 p90 -56.38 125.94 24.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -81.16 173.37 12.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.019 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.412 ' N ' ' OG ' ' A' ' 143' ' ' SER . 1.1 ptt85 -120.33 147.99 46.39 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 111.042 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 206' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.2 pt-20 -49.14 149.0 3.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' B' ' 208' ' ' THR . 18.2 Cg_endo -75.03 -88.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 79.65 -54.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.444 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.68 150.66 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.562 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.03 134.27 17.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.99 170.59 20.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.808 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 212' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.0 OUTLIER -93.66 158.68 15.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 213' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -38.86 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.238 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.75 -49.42 77.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.045 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -44.04 91.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.356 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -57.75 -50.55 72.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -63.74 -29.71 70.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -76.79 -12.82 60.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.84 ' HB3' HD23 ' A' ' 39' ' ' LEU . 35.7 mtp -94.08 -5.58 47.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.682 HG12 ' CE1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -128.83 -103.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.487 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 84.59 -47.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -110.28 63.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.682 ' CE1' HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -122.45 142.37 50.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HG2' HG21 ' A' ' 79' ' ' THR . 0.3 OUTLIER -39.33 -53.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.444 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 94.2 m-85 -136.56 71.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.743 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.4 mtm180 -42.95 -37.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -71.52 -58.17 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 11.7 tp -52.87 -37.33 60.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.228 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.602 HG21 ' CD2' ' A' ' 15' ' ' TYR . 91.3 m -69.02 -51.36 39.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 18' ' ' ARG . 41.4 t -55.39 -47.95 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HA ' HG22 ' A' ' 26' ' ' VAL . 6.7 ttm180 -59.96 -43.31 95.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.71 ' HB3' HD22 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -63.26 -38.04 89.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.446 HG23 HD11 ' A' ' 55' ' ' LEU . 73.5 m -73.12 -62.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 22' ' ' VAL . 14.5 m -48.04 -44.55 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -55.24 -48.82 73.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 24' ' ' GLU . 16.0 t -56.17 -66.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 43.5 pt -54.31 -21.64 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.1 m -81.67 -19.76 40.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.87 -49.36 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.644 ' CE2' HG21 ' A' ' 128' ' ' ILE . 26.5 m-85 -85.51 -61.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 7.3 ttmt 87.36 -8.3 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.424 1.077 . . . . 0.0 109.354 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.43 -22.88 19.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.377 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD11 HG22 ' A' ' 72' ' ' ILE . 2.1 tp -88.2 170.19 11.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -159.61 142.9 10.47 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.93 122.12 7.04 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.576 HG11 ' HB ' ' A' ' 56' ' ' THR . 2.2 p -122.91 165.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.914 HD11 ' HB2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -116.74 154.98 29.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.679 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.5 p30 -147.52 142.65 27.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -113.32 83.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -107.54 148.07 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.041 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 49' ' ' SER . 10.2 m -86.65 143.71 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 42.5 m-85 -144.48 -65.06 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.6 m-80 -57.57 98.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 45.63 26.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 88.27 55.44 2.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 t -122.82 109.32 14.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.436 ' N ' HG12 ' A' ' 43' ' ' VAL . 16.1 m -42.57 144.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -146.03 136.45 23.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.914 ' HB2' HD11 ' A' ' 39' ' ' LEU . 3.4 pm0 -81.25 72.76 8.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.228 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.512 HD22 ' CE3' ' A' ' 75' ' ' TRP . 9.4 tt -76.57 133.79 39.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -81.2 107.51 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.51 ' O ' HD22 ' A' ' 55' ' ' LEU . 4.8 p-10 -109.29 167.14 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD22 ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -116.2 152.97 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.576 ' HB ' HG11 ' A' ' 38' ' ' VAL . 10.5 t -139.89 178.53 7.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.73 176.2 15.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.573 1.17 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 54.3 p -121.3 108.56 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.888 HD12 HG12 ' A' ' 132' ' ' ILE . 46.8 pt -74.97 152.09 86.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.591 1.837 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.491 HG13 ' HA2' ' A' ' 136' ' ' GLY . 3.1 t -105.42 110.04 63.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.36 42.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.79 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.445 ' CB ' ' OD1' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -125.31 -147.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -13.56 59.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.439 ' C ' ' ND2' ' A' ' 66' ' ' ASN . . . 179.72 54.21 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.445 ' OD1' ' CB ' ' A' ' 63' ' ' TYR . 0.9 OUTLIER 171.42 174.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.0 m -143.26 108.2 4.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.533 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 1.7 m-85 -87.0 -166.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -128.61 111.35 13.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.439 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -109.39 130.95 22.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 160.89 39.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.524 1.802 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -145.62 -176.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.515 ' N ' HG23 ' A' ' 72' ' ' ILE . 53.1 t -166.97 114.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -110.44 150.52 28.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.512 ' CE3' HD22 ' A' ' 52' ' ' LEU . 81.2 m95 -112.07 68.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 108.052 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.904 HD11 HD21 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -50.73 112.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.11 -171.29 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.571 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 1.6 m-20 -83.42 -58.7 2.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 79' ' ' THR . 9.4 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.627 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 113.34 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.583 1.833 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.452 ' HG2' HD12 ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.96 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.403 1.739 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.668 ' O ' HD13 ' A' ' 74' ' ' LEU . 3.6 mt -81.45 146.0 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.52 ' HB3' HD13 ' A' ' 109' ' ' ILE . 37.7 m -110.22 127.06 54.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 108.345 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 2.4 m-85 -139.92 170.56 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.974 HG12 ' O ' ' A' ' 107' ' ' GLY . 9.9 p -134.86 145.32 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -122.02 78.0 41.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.525 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -74.93 164.47 33.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.477 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 82.5 p -84.34 -167.86 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.4 m -88.94 -38.56 14.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -17.02 61.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.6 mtt -70.57 179.22 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' HG23 ' A' ' 141' ' ' VAL . 87.3 m -155.04 99.86 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.628 ' N ' HG23 ' A' ' 141' ' ' VAL . 8.6 mt -45.86 150.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -116.71 74.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.438 HG23 HG22 ' A' ' 97' ' ' ILE . 67.3 p -60.23 139.11 57.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 172.4 -134.45 3.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -91.04 47.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.626 ' HA ' HD11 ' A' ' 111' ' ' LEU . 4.5 m-70 -165.04 -59.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.671 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.6 t -101.36 161.59 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.7 OUTLIER -105.73 -66.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.364 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 169.88 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.15 -25.39 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.974 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 113.17 0.99 25.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 7.0 ttpt -99.37 131.41 45.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 87' ' ' CYS . 2.7 mp -56.62 133.78 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.68 ' C ' HD12 ' A' ' 111' ' ' LEU . 18.5 t80 -109.99 82.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.68 HD12 ' C ' ' A' ' 110' ' ' TYR . 4.9 mp -157.71 152.97 21.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 47.28 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -46.75 -35.9 6.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -79.17 -43.68 23.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.5 37.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -126.82 -84.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.436 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 25.7 t-105 -69.08 -81.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.531 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 12.1 ttpp 47.34 43.36 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 1.001 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.95 -45.86 99.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.542 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 1.001 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.95 -43.92 0.63 Allowed 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.064 -0.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 10.4 tm0? 57.6 -74.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 120' ' ' PRO . 3.6 t -36.96 145.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 126' ' ' GLY . 16.2 m-20 -127.43 169.6 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.904 HD21 HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -39.61 -46.41 1.79 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.22 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 125' ' ' LEU . 6.8 mp -64.8 -49.74 69.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -59.73 -30.75 69.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.647 HD23 ' N ' ' A' ' 128' ' ' ILE . 2.5 tt -59.93 -58.2 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.647 ' N ' HD23 ' A' ' 127' ' ' LEU . 2.5 mt -58.39 -23.7 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -41.68 71.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.39 -41.76 91.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.455 ' CE ' ' HB3' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -67.64 -38.7 84.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 111.024 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.888 HG12 HD12 ' A' ' 59' ' ' ILE . 43.2 mt -59.99 -31.38 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.2 t -79.88 -42.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.69 -47.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.696 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 5.5 m-85 -90.62 26.08 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.491 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -119.57 -35.51 0.91 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.71 -70.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.98 166.62 13.11 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.25 3.75 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.696 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.99 -28.99 8.7 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.443 1.76 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.628 HG23 ' N ' ' A' ' 97' ' ' ILE . 11.9 p -170.45 60.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -57.28 136.19 56.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.0 t -98.38 171.53 8.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -93.11 156.29 40.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.937 -0.447 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 206' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 pt-20 -50.85 151.98 3.95 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.477 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.6 Cg_endo -74.92 -89.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.447 1.762 . . . . 0.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.737 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.88 -56.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.57 150.74 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.533 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 136.71 20.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.94 176.62 9.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 212' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -111.32 168.51 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 213' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' B' ' 212' ' ' GLU . 2.0 pp20? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -39.26 -44.67 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -47.43 85.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -71.53 -29.48 64.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.504 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.7 tp -55.24 -43.09 74.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.617 ' HE3' HG11 ' A' ' 22' ' ' VAL . 10.7 ttmt -60.14 -24.82 65.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -26.29 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.672 ' HB3' HD23 ' A' ' 39' ' ' LEU . 67.8 mtt -66.88 -15.99 64.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.735 HG12 ' CG ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.51 -87.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 t 41.92 28.49 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.119 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 12' ' ' VAL . 2.3 ttmt -151.95 -45.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.735 ' CG ' HG12 ' A' ' 12' ' ' VAL . 3.2 m-30 -36.7 132.99 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.167 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.82 ' CB ' HG21 ' A' ' 79' ' ' THR . 0.0 OUTLIER -40.29 -54.01 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -108.12 57.59 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -51.46 -47.2 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.84 -56.17 24.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -56.88 -32.08 65.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.21 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.4 m -73.38 -50.76 20.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.747 ' O ' HG22 ' A' ' 26' ' ' VAL . 43.9 t -60.87 -32.62 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 2.7 ttm180 -76.64 -30.18 56.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -78.79 -43.35 25.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 m -65.82 -45.01 83.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 22' ' ' VAL . 35.6 m -64.26 -41.5 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' LEU . 3.7 m-20 -51.95 -47.0 64.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 24' ' ' GLU . 70.2 t -56.77 -69.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.1 pt -53.82 -20.59 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 7.7 m -84.26 -23.85 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' ASN . 3.8 tp -91.51 -50.45 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -95.74 -56.17 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 76.96 17.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.71 -24.05 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.562 HD13 ' CG2' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -74.41 169.53 17.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.361 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.83 115.48 3.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.64 6.16 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -120.65 164.16 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' ' 11' ' ' MET . 0.5 OUTLIER -115.04 140.64 48.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.5 p30 -127.13 159.06 35.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -141.25 120.88 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.064 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -140.84 149.79 42.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 m -80.36 145.51 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.363 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -149.9 -66.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 47' ' ' GLY . 3.7 m-20 -50.74 97.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t0 43.99 27.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 89.08 51.02 3.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -125.49 128.22 47.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p -40.57 151.92 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.23 149.07 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.24 119.45 35.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.32 136.96 32.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.45 ' SD ' ' CD1' ' A' ' 8' ' ' LEU . 4.6 ttp -88.22 174.23 8.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -171.96 145.87 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -103.37 148.44 25.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 t -157.03 135.26 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.62 -171.84 43.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.3 p -119.44 100.91 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.345 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.636 HD12 HG12 ' A' ' 132' ' ' ILE . 13.7 pt -80.17 147.6 65.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 105.15 2.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.438 1.757 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 t -91.13 113.07 57.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 156.53 42.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -127.34 -149.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -12.03 59.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.22 35.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.414 ' C ' ' HG1' ' A' ' 67' ' ' THR . 3.1 m120 -163.7 -177.53 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.414 ' HG1' ' C ' ' A' ' 66' ' ' ASN . 26.0 m -156.28 104.46 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.434 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.3 m-85 -92.27 -165.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.5 122.1 30.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.584 1.177 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -114.45 135.0 22.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.436 ' HG3' ' HE3' ' A' ' 95' ' ' MET . 18.5 Cg_endo -74.97 146.09 32.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.687 HD12 ' SD ' ' A' ' 131' ' ' MET . 5.1 mm -135.25 151.86 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.405 ' HB2' ' CG ' ' A' ' 90' ' ' LYS . 21.4 t -160.6 106.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.282 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -138.22 164.54 28.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.576 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 12.3 m95 -99.71 160.77 14.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.185 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.044 HD11 HD11 ' A' ' 124' ' ' LEU . 2.0 tp -129.45 98.55 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.96 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.583 ' C ' HG22 ' A' ' 79' ' ' THR . 0.5 OUTLIER -92.5 -41.87 10.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.82 HG21 ' CB ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.46 ' OD1' HD12 ' A' ' 127' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 113.33 3.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -14.03 21.34 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.649 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 3.0 mm -76.32 105.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.8 m -138.81 114.29 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 108.212 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.649 ' CZ ' HG23 ' A' ' 86' ' ' ILE . 12.3 m-85 -123.93 171.54 9.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.955 HG12 ' O ' ' A' ' 107' ' ' GLY . 11.9 p -115.93 161.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 73' ' ' CYS . 5.6 mmmt -125.8 74.33 70.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.529 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.96 174.93 11.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 p -110.01 -160.95 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.132 . . . . 0.0 110.432 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.5 p -96.54 -25.34 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -89.6 -5.03 57.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.956 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.6 mtt -82.6 -174.2 5.06 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.446 ' C ' HG23 ' A' ' 141' ' ' VAL . 95.5 m -156.5 105.63 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -56.85 134.75 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -120.46 102.27 8.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 p -84.21 140.24 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.396 1.06 . . . . 0.0 110.35 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 101' ' ' LYS . . . 175.23 56.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 0.1 OUTLIER 79.75 -50.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -65.08 -36.17 83.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.628 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.19 153.39 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.678 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.5 OUTLIER -91.44 -66.89 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 163.92 -31.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -83.35 -7.51 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.955 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 99.84 15.05 32.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -109.61 134.03 52.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.38 138.16 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.412 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 29.2 t80 -113.61 65.74 0.66 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.9 mt -144.04 142.78 20.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.227 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.29 2.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.404 1.739 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -41.4 -49.46 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 83' ' ' ASN . 4.6 tp -69.33 -39.24 78.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.5 37.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.528 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -130.01 -86.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.496 ' CD1' ' HB2' ' A' ' 122' ' ' SER . 36.4 t-105 -71.64 -79.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 107.986 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.562 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.1 pttt 39.54 39.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.52 -45.62 98.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.62 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.07 -47.53 0.31 Allowed 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.015 0.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.6 tp-100 62.42 -63.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -54.95 158.49 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 126' ' ' GLY . 2.2 p-10 -132.75 174.44 10.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 1.044 HD11 HD11 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -40.16 -42.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.378 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -59.36 -52.34 66.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -64.77 -37.1 93.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.46 HD12 ' OD1' ' A' ' 83' ' ' ASN . 8.6 tt -48.63 -56.36 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.8 mp -69.08 -31.86 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -54.97 -45.88 75.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.2 t -62.13 -47.4 93.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.687 ' SD ' HD12 ' A' ' 72' ' ' ILE . 42.2 ttm -60.06 -41.94 93.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.636 HG12 HD12 ' A' ' 59' ' ' ILE . 11.3 mt -58.24 -36.68 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.72 -40.56 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 130' ' ' VAL . 86.8 t -65.23 -49.91 76.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 140' ' ' PRO . 2.1 m-30 -88.83 19.44 4.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -113.61 -40.41 1.02 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.424 1.077 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -61.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -104.8 161.15 23.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.25 3.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.567 1.825 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.552 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.97 -23.23 14.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.446 HG23 ' C ' ' A' ' 96' ' ' THR . 7.2 p -176.19 63.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 142' ' ' PHE . 2.1 p90 -58.25 139.36 55.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 1.9 t -105.59 176.05 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.457 ' CD ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -83.63 168.78 20.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 144' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -57.37 151.24 39.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.464 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.97 -84.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.726 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.78 -56.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.431 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.98 152.52 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.447 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.93 136.17 20.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 167.81 26.23 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 212' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.3 OUTLIER -93.13 148.31 22.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 213' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -50.62 -45.56 57.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -63.13 -53.13 58.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.07 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.81 -28.13 67.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.2 tp -63.71 -43.39 96.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HD2' ' CZ ' ' A' ' 18' ' ' ARG . 5.3 ttpp -62.02 -31.04 71.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -84.43 -12.02 55.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.35 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.451 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 7.7 mtm -85.78 -10.21 55.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -117.18 -98.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.531 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.8 m 58.26 16.64 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.046 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -123.26 14.68 9.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -110.29 154.31 23.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -59.45 5.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' THR . 5.2 m-85 -108.56 69.49 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' CZ ' ' HD2' ' A' ' 9' ' ' LYS . 50.6 ttp180 -51.58 -43.42 62.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.199 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -58.01 8.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -57.04 -30.22 64.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' TYR . 44.8 m -71.18 -47.84 55.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.368 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.732 ' O ' HG22 ' A' ' 26' ' ' VAL . 37.5 t -69.66 -41.37 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -68.03 -30.46 69.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.496 ' HG2' HD22 ' A' ' 124' ' ' LEU . 26.8 tt0 -78.4 -38.07 42.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.508 HG23 HD21 ' A' ' 55' ' ' LEU . 17.9 m -69.56 -48.85 58.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 22' ' ' VAL . 27.7 m -60.56 -37.81 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.539 ' HB3' HD21 ' A' ' 125' ' ' LEU . 8.7 m-20 -58.18 -42.2 85.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.832 HG21 HD23 ' A' ' 124' ' ' LEU . 21.7 t -60.32 -66.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 35' ' ' LEU . 3.8 pt -55.57 -26.64 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.8 m -68.67 -27.58 66.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tp -89.19 -48.12 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.658 ' CE1' HD11 ' A' ' 59' ' ' ILE . 37.7 m-85 -86.52 -65.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 3.5 ttpp 88.27 9.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -110.46 -22.96 11.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.489 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.6 mp -73.76 124.21 25.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -110.08 119.33 47.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.226 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.04 129.21 12.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.95 154.34 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' HB2' ' CE ' ' A' ' 11' ' ' MET . 0.3 OUTLIER -118.38 131.61 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 41' ' ' SER . 13.9 t0 -154.39 148.68 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 7.8 t -117.25 139.99 50.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.7 t80 -135.99 153.66 51.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 m -77.99 139.41 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 26.5 m-85 -144.25 -64.78 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -54.4 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.362 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' PHE . 19.0 t0 50.23 24.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.73 55.52 1.88 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 t -126.49 116.12 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.047 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.5 p -41.88 140.78 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -147.57 136.16 21.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -76.2 117.5 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.342 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.528 HD12 ' HE2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -133.44 149.94 51.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.407 ' HG2' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -95.12 158.34 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 4.1 p-10 -162.12 148.88 13.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.508 HD21 HG23 ' A' ' 25' ' ' THR . 2.0 mt -115.24 152.5 32.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 56' ' ' THR . 0.7 OUTLIER -160.27 117.33 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 110.499 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . -159.18 -179.74 34.22 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 p -110.2 103.49 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.736 . . . . 0.0 110.365 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.058 HD13 HD11 ' A' ' 132' ' ' ILE . 2.4 tt -82.83 142.95 45.7 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 17.9 Cg_endo -75.13 114.6 4.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.57 112.97 65.88 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.56 ' N ' HG23 ' A' ' 67' ' ' THR . 18.4 Cg_endo -74.94 154.22 42.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -133.88 16.21 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 2.9 ttt85 78.12 53.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.67 -31.69 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -139.69 131.52 27.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 62' ' ' PRO . 19.3 m -113.58 101.33 9.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.542 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 6.9 m-85 -76.34 -172.63 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.4 OUTLIER -123.31 114.84 20.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.438 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -113.39 130.95 23.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.626 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.0 Cg_endo -75.09 168.55 24.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.55 160.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.549 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 12.3 t -158.6 118.38 3.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 108.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.595 ' H ' HD23 ' A' ' 74' ' ' LEU . 2.4 pt? -138.46 159.22 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -105.81 158.61 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.642 HD12 ' HG3' ' A' ' 84' ' ' PRO . 4.9 tp -123.76 142.64 50.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.438 HD21 ' HA ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER -111.41 177.88 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -69.96 -63.71 1.03 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.451 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.436 ' OD1' HD11 ' A' ' 114' ' ' LEU . 4.6 t-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.642 ' HG3' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.01 113.0 3.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.819 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.588 ' HA ' HD13 ' A' ' 114' ' ' LEU . 18.3 Cg_endo -74.97 -19.61 17.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.6 mm -69.08 91.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 36.4 m -132.15 102.17 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 5.4 p90 -133.25 155.98 48.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 71' ' ' PRO . 13.6 p -90.7 149.86 3.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.78 79.52 23.72 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -172.59 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.7 p -103.38 -145.65 0.37 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -109.5 -42.81 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.79 -7.99 51.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.536 ' HE1' ' HB2' ' B' ' 207' ' ' PRO . 4.3 mtt -74.33 -175.7 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 m -148.3 94.66 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.568 HD11 ' CA ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -52.09 156.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.7 102.1 7.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 59.1 p -86.19 145.17 27.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.05 -135.34 3.78 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.41 46.1 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.727 ' CD2' HD12 ' A' ' 111' ' ' LEU . 6.8 m170 -161.78 -44.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.661 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -131.41 155.25 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.368 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.2 OUTLIER -98.64 -68.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 175.94 35.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.37 17.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.596 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 69.31 4.64 45.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.571 1.169 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 139.7 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.1 mt -79.49 125.46 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 111' ' ' LEU . 79.9 t80 -85.32 -56.59 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.727 HD12 ' CD2' ' A' ' 102' ' ' HIS . 11.7 mt -39.64 120.77 1.41 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.98 4.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -58.85 -31.15 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.588 HD13 ' HA ' ' A' ' 85' ' ' PRO . 0.7 OUTLIER -72.9 -35.86 67.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 115' ' ' HIS . 15.2 t-80 -91.56 34.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.571 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.68 -66.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 40.0 t-105 -65.31 -78.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.561 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.6 ptmm? 38.81 39.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.24 -45.71 98.21 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.638 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.98 -47.82 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.056 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.2 tp-100 62.64 -62.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.6 t -53.68 167.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.047 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -134.09 -179.43 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.832 HD23 HG21 ' A' ' 28' ' ' VAL . 3.1 tp -59.08 -41.69 88.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 27' ' ' ASN . 9.8 mp -66.48 -56.48 10.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.17 -48.13 85.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 tt -47.16 -54.05 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.485 HG22 HD13 ' A' ' 132' ' ' ILE . 72.9 mt -59.03 -33.17 49.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -58.04 -35.44 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.08 -45.47 83.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 8.8 ttm -59.9 -32.12 70.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 1.058 HD11 HD13 ' A' ' 59' ' ' ILE . 1.4 mp -68.89 -41.43 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.4 t -72.14 -32.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 25.1 t -72.86 -46.32 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.412 ' CG ' ' HG3' ' A' ' 140' ' ' PRO . 3.7 m-30 -76.82 -3.62 39.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -96.42 -29.54 8.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.115 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.88 -41.84 28.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.32 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 146.91 54.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 110.287 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 113.12 3.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.412 ' HG3' ' CG ' ' A' ' 135' ' ' PHE . 18.2 Cg_endo -75.04 -23.31 13.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.56 HG23 ' HA ' ' A' ' 97' ' ' ILE . 13.8 p -174.7 63.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 44.8 p90 -65.28 126.78 29.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.5 t -84.95 164.14 18.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 59.72 114.83 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.097 -0.386 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 206' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -64.18 149.59 93.92 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.536 ' HB2' ' HE1' ' A' ' 95' ' ' MET . 18.7 Cg_endo -74.92 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.401 1.738 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.699 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 76.81 -54.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.37 149.93 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.542 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 142.25 27.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.446 1.761 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 -170.39 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.79 152.83 37.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.431 ' HB3' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -38.77 -31.23 0.06 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -61.79 -55.41 30.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -66.07 -37.13 85.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.717 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -55.96 -57.57 11.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -26.72 2.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -81.79 -32.63 31.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.669 ' CB ' HD13 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -73.47 -11.27 60.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -114.89 -93.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.535 ' H ' HG23 ' A' ' 12' ' ' VAL . 1.4 t 85.68 -57.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.057 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -125.2 69.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 53' ' ' MET . 5.2 t80 -155.82 120.11 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' CA ' ' O ' ' A' ' 78' ' ' ASP . 14.6 tttt 42.77 32.65 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 20' ' ' LEU . 43.9 m-85 55.1 85.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.69 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.3 ptt180 -42.31 -31.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -68.31 -47.03 68.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' TYR . 2.3 mm? -73.42 -31.86 64.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.3 m -74.92 -59.23 2.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 26' ' ' VAL . 78.6 t -51.24 -35.42 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -71.85 -36.07 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.62 -40.1 43.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -64.51 -52.36 58.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 22' ' ' VAL . 29.2 m -58.04 -43.8 85.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.676 ' HB3' HD21 ' A' ' 125' ' ' LEU . 4.3 m-20 -58.18 -41.26 83.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.79 -66.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' LYS . 18.2 pt -55.53 -26.54 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.8 m -70.67 -25.97 63.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 tp -87.96 -48.27 7.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.453 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 12.8 m-85 -93.42 -61.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 83.9 5.79 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.27 -21.5 13.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.65 153.07 29.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -129.87 123.07 20.79 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.37 5.62 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG13 ' CG ' ' A' ' 54' ' ' ASN . 1.5 p -119.02 163.95 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.823 HD23 ' H ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -132.42 179.1 6.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.823 ' H ' HD23 ' A' ' 39' ' ' LEU . 16.4 p-10 -179.08 150.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.21 105.93 12.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -118.73 149.26 41.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 49' ' ' SER . 15.4 m -78.74 140.58 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -146.07 -59.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' GLY . 36.6 m-20 -55.7 94.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 t70 43.03 28.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.16 63.8 1.25 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.533 1.145 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.37 116.87 10.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 109.977 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.418 ' N ' HG12 ' A' ' 43' ' ' VAL . 2.7 p -40.32 138.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.936 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -143.78 135.54 26.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 2.1 mp0 -76.3 108.47 9.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.409 HD22 ' CE3' ' A' ' 75' ' ' TRP . 6.3 tt -118.06 140.09 50.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.578 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . 4.3 mtp -102.01 138.7 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.574 ' CG ' HG13 ' A' ' 38' ' ' VAL . 6.9 p-10 -132.79 162.74 30.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.557 HD22 ' C ' ' A' ' 54' ' ' ASN . 3.1 mm? -119.32 152.96 35.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -160.37 166.49 29.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 110.368 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 134.78 -178.92 18.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.572 1.17 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 p -114.49 120.46 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 0.804 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.72 HG23 ' HD2' ' A' ' 60' ' ' PRO . 79.8 mt -89.13 142.53 30.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.72 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.07 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.39 115.1 56.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.02 42.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -130.57 -148.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 53.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.25 13.61 7.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.467 ' C ' ' HG1' ' A' ' 67' ' ' THR . 0.2 OUTLIER -147.31 175.77 10.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 0.795 . . . . 0.0 109.253 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.467 ' HG1' ' C ' ' A' ' 66' ' ' ASN . 53.8 m -156.49 107.45 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.449 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.531 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 6.3 m-85 -95.46 -174.93 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -118.0 122.12 42.4 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.581 1.176 . . . . 0.0 109.22 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -116.34 127.74 26.53 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.644 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.96 154.68 42.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 71' ' ' PRO . 12.7 mt -157.46 147.62 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.615 ' O ' HD22 ' A' ' 74' ' ' LEU . 7.1 t -128.43 131.84 48.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 73' ' ' CYS . 4.1 mm? -125.59 131.96 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' A' ' 54' ' ' ASN . 19.5 m95 -102.88 97.64 7.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mp -72.9 134.62 44.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.557 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -80.39 -165.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -99.64 -43.28 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.7 ' OD1' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.416 ' HD2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.98 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.692 ' HB3' HD13 ' A' ' 114' ' ' LEU . 18.4 Cg_endo -74.95 -31.11 6.57 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.9 mt -82.33 106.93 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.555 ' O ' HD12 ' A' ' 109' ' ' ILE . 17.3 m -140.2 110.71 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.283 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 3.0 p90 -141.38 174.38 10.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.6 p -105.7 149.1 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' CG ' ' HB2' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -117.56 80.22 13.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.29 14.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.483 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 77.1 p -90.75 -135.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.3 -43.35 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -10.73 60.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.6 mtt -69.09 -178.28 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.1 m -145.45 105.06 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.27 144.78 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.224 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.32 89.02 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.3 p -65.52 144.02 57.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 174.46 -138.65 4.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -92.39 39.91 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.77 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.459 ' NE2' HG13 ' A' ' 134' ' ' VAL . 15.7 m170 -151.67 -46.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 104' ' ' ASP . 1.9 t -117.62 168.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 9.9 t0 -108.93 -63.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 177.38 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -87.48 11.1 15.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.632 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 82.63 5.88 89.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -77.93 129.12 34.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.761 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 87' ' ' CYS . 30.6 mt -57.52 130.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -93.33 49.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.0 mt -147.14 156.74 46.73 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.3 Cg_endo -75.06 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.581 1.832 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.453 ' OH ' HG12 ' A' ' 130' ' ' VAL . 1.1 m-85 60.72 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.692 HD13 ' HB3' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -61.81 -30.87 71.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -98.33 26.1 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.613 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.7 -70.96 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.486 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 37.3 t-105 -70.68 -79.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.527 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 17.8 ptmt 43.11 42.7 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.972 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -53.97 -46.01 98.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.599 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.972 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.94 -47.13 0.32 Allowed 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.042 -0.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 59.86 -68.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -48.32 160.3 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.052 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 126' ' ' GLY . 7.3 m-20 -133.57 166.65 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.8 tp -43.11 -31.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.676 HD21 ' HB3' ' A' ' 27' ' ' ASN . 6.9 mp -68.09 -50.22 56.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -65.87 -47.45 74.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.7 HD12 ' OD1' ' A' ' 83' ' ' ASN . 4.3 tt -44.15 -51.34 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 64.9 mt -71.62 -27.74 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 133' ' ' VAL . 13.5 tt0 -67.23 -46.63 73.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.453 HG12 ' OH ' ' A' ' 113' ' ' TYR . 17.2 t -59.9 -45.8 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.43 ' SD ' HD11 ' A' ' 109' ' ' ILE . 19.3 ttm -63.24 -41.22 99.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.441 HD11 HD13 ' A' ' 59' ' ' ILE . 36.9 mt -59.49 -27.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 129' ' ' GLN . 73.3 t -79.44 -32.01 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.459 HG13 ' NE2' ' A' ' 102' ' ' HIS . 92.3 t -81.22 -35.15 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.3 m-85 -101.89 18.83 19.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -114.42 -28.69 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.27 -63.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -97.25 162.09 23.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.469 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 18.4 Cg_endo -75.02 -25.8 11.49 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 141' ' ' VAL . 8.3 p -174.97 60.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -57.58 134.62 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 208' ' ' THR . 0.7 OUTLIER -91.46 170.24 10.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -131.24 98.91 18.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.43 1.753 . . . . 0.0 110.958 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 206' ' ' GLU . . . . . 0.458 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.8 pt-20 -48.52 148.89 3.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.483 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.95 -89.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.427 1.751 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.712 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 78.78 -53.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.96 149.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.344 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.531 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.03 139.2 23.94 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.446 1.761 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.02 -169.43 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.14 161.2 27.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' SER . 18.1 tt0 -38.31 -45.27 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -51.07 71.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -66.1 -37.92 86.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.826 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.3 tp -58.9 -58.42 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -50.17 -32.59 16.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -81.83 -28.13 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.231 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' LEU . 24.6 mtp -76.6 -0.88 24.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.42 -93.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 27.8 t 50.58 24.22 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -131.62 -47.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.211 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 3.3 m-85 -37.49 144.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' CB ' HG21 ' A' ' 79' ' ' THR . 11.9 tttt -55.06 -47.06 75.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.068 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -113.71 51.21 0.87 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.583 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -46.11 -42.81 14.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.84 -57.69 9.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.13 -34.79 66.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.6 m -71.78 -49.67 36.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' ' 26' ' ' VAL . 42.3 t -59.77 -45.38 94.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' HA ' HG22 ' A' ' 26' ' ' VAL . 1.8 ttm180 -60.26 -35.78 76.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.674 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -73.23 -33.94 65.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.538 HG23 HD21 ' A' ' 55' ' ' LEU . 53.0 m -74.48 -52.02 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 22' ' ' VAL . 34.9 m -59.05 -42.35 86.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.435 ' HB3' HD11 ' A' ' 125' ' ' LEU . 11.1 m-20 -56.05 -45.47 79.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 24' ' ' GLU . 40.8 t -57.71 -67.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.402 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 3.4 pt -52.89 -23.63 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.9 m -78.3 -27.73 47.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.457 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 32' ' ' TYR . 1.5 tp -84.67 -46.68 11.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CE1' HD23 ' A' ' 31' ' ' LEU . 32.1 m-85 -103.34 -62.56 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 2.4 ttpp 87.14 7.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.46 -13.61 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.414 ' CD2' HG11 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -82.15 150.86 27.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.01 112.39 18.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -75.0 120.41 6.05 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -121.16 160.65 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -121.76 121.14 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -126.65 155.35 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 11.9 t -140.81 124.19 16.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.5 t80 -129.78 165.25 22.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.503 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 8.8 m -84.72 139.96 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 23.9 m-85 -142.7 -63.76 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.37 96.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 45.35 27.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.6 52.4 2.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.588 1.18 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.34 114.91 21.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 0.741 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.9 p -45.85 133.68 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.13 140.42 37.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.57 120.44 23.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 44' ' ' PHE . 1.5 mt -134.85 118.96 17.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -74.78 153.69 38.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' ND2' HG13 ' A' ' 38' ' ' VAL . 7.2 p-10 -154.11 156.1 36.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.538 HD21 HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -126.4 144.42 50.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -151.59 137.05 17.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.462 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 174.79 178.57 44.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.555 1.159 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.3 p -110.42 101.64 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 110.336 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.74 HD12 HG12 ' A' ' 132' ' ' ILE . 15.6 pt -76.41 148.68 80.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.5 2.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 t -100.99 112.6 65.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 153.5 41.47 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.424 1.75 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -130.04 16.03 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 80.02 60.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.349 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 131.93 -27.72 3.62 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -139.89 140.65 36.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.3 m -121.6 108.7 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.54 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.6 m-85 -85.95 -166.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.3 OUTLIER -126.01 107.19 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -105.16 127.96 27.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.474 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -74.97 153.79 42.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 111.075 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.7 mt -151.68 137.45 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 t -133.46 133.46 42.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.565 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -151.28 154.3 36.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -106.79 146.26 31.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.495 HD12 ' HB3' ' A' ' 84' ' ' PRO . 3.5 tp -114.4 130.12 56.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.07 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.37 -167.55 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.584 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 1.5 p-10 -80.15 -61.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.442 HG21 ' CB ' ' A' ' 16' ' ' LYS . 1.5 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.495 ' HB3' HD12 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.9 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.79 16.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.423 1.749 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.9 mm -95.62 104.0 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.549 ' O ' HG22 ' A' ' 109' ' ' ILE . 53.5 m -143.03 115.35 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 108.281 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.43 ' CB ' ' HA ' ' A' ' 108' ' ' LYS . 9.9 p90 -158.25 147.33 19.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 107' ' ' GLY . 7.6 p -68.16 140.92 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 4.4 ttmt -118.01 79.7 14.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -74.95 -178.29 4.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.537 1.809 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.0 p -97.04 -140.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.9 -37.29 3.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.051 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -77.04 -0.8 25.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.0 mtt -78.42 -167.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.3 m -153.78 83.86 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.493 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -54.72 143.32 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -124.08 115.37 21.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.214 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 104' ' ' ASP . 4.8 p -79.24 148.04 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.37 -149.38 7.3 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -91.94 38.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 0.811 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.604 ' CE1' HG13 ' A' ' 134' ' ' VAL . 5.4 m-70 -144.33 -49.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.505 HG22 ' CZ ' ' A' ' 135' ' ' PHE . 26.2 t -114.15 163.58 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.643 ' O ' HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -95.1 -59.81 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.072 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 170.35 -35.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.63 5.95 25.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.526 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 83.97 11.3 79.26 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -74.98 119.04 18.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 135' ' ' PHE . 0.4 OUTLIER -64.67 125.9 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.61 122.14 17.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.869 ' CD1' HG11 ' A' ' 134' ' ' VAL . 0.2 OUTLIER -165.94 150.24 7.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 42.25 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.57 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.3 p90 -108.05 -41.74 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.066 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.57 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 4.7 tt -54.34 -51.74 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -92.81 42.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.665 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.27 -76.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 38.2 t-105 -57.93 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 107.996 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.577 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 37.58 39.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.991 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -52.45 -45.71 95.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.666 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.991 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.95 -47.09 0.32 Allowed 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.987 -0.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 7.2 tp-100 62.78 -64.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 120' ' ' PRO . 8.6 t -41.71 155.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -128.52 167.76 16.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.426 HD23 HG21 ' A' ' 28' ' ' VAL . 5.3 tp -43.89 -36.97 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 27' ' ' ASN . 7.5 mp -61.25 -59.28 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.31 -36.78 77.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.52 -63.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.469 ' HA ' ' CG ' ' A' ' 131' ' ' MET . 66.6 mt -58.76 -17.0 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -80.62 -41.37 24.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -49.99 81.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 128' ' ' ILE . 9.8 ptp -64.06 -33.77 76.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 59' ' ' ILE . 8.3 mt -64.45 -28.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.71 -36.57 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.869 HG11 ' CD1' ' A' ' 111' ' ' LEU . 70.5 t -75.61 -49.77 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 4.6 m-85 -87.81 17.52 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -109.95 -30.14 3.55 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.64 -64.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.46 158.28 43.39 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.072 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.08 3.71 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.576 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.5 Cg_endo -74.99 -28.57 9.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.568 1.825 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 97' ' ' ILE . 6.9 p -171.33 60.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.482 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 13.9 p90 -60.2 125.34 23.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' B' ' 208' ' ' THR . 1.2 t -83.44 173.03 11.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.4 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -95.52 167.0 13.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.557 1.819 . . . . 0.0 110.972 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.825 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -62.96 148.75 91.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.474 ' CB ' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.02 -83.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.704 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.91 -54.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.467 1.104 . . . . 0.0 110.351 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.74 150.67 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.54 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 137.8 22.35 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.07 -170.93 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 212' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.3 OUTLIER -98.31 -145.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 213' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.7 ' HA ' HD23 ' A' ' 8' ' ' LEU . 1.1 pt-20 -35.68 -36.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -62.02 -57.94 9.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.16 . . . . 0.0 110.043 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.5 OUTLIER -72.32 -27.1 62.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.188 . . . . 0.0 110.281 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.845 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -62.14 -30.46 71.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.64 -33.72 66.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -85.47 -9.82 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 8' ' ' LEU . 26.4 mtm -84.42 -30.79 25.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.664 HG23 ' H ' ' A' ' 13' ' ' SER . 2.1 m -86.32 -101.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.157 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.664 ' H ' HG23 ' A' ' 12' ' ' VAL . 1.3 p 52.92 22.42 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.41 25.88 7.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.019 ' CD2' HG21 ' A' ' 21' ' ' THR . 17.1 m-85 -120.76 148.28 44.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' CB ' HG21 ' A' ' 79' ' ' THR . 1.3 tptt -42.89 -42.97 3.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 4.9 m-85 -135.99 81.4 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -54.25 -42.57 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -55.4 35.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.43 -36.61 84.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 1.019 HG21 ' CD2' ' A' ' 15' ' ' TYR . 70.2 m -64.09 -48.43 76.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.942 ' O ' HG22 ' A' ' 26' ' ' VAL . 2.8 t -67.22 -39.21 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 13.1 ttt85 -64.15 -32.57 74.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' HB3' HD22 ' A' ' 124' ' ' LEU . 7.5 mm-40 -76.78 -39.24 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.4 m -69.75 -48.14 60.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.436 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.942 HG22 ' O ' ' A' ' 22' ' ' VAL . 25.5 m -63.93 -37.13 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -59.48 -41.18 89.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 t -59.15 -68.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' LYS . 46.6 pt -53.63 -27.2 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.2 m -72.25 -26.03 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.385 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.588 HD13 HD23 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -86.53 -47.0 9.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.463 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 42.1 m-85 -95.09 -63.69 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 16.0 ttmt 85.25 12.95 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.79 -23.92 11.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -79.59 142.48 35.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -119.02 119.03 32.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 129.38 12.23 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.17 144.32 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -98.96 127.45 44.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.538 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -117.56 156.89 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.1 t -147.44 118.25 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -138.09 155.49 48.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 m -81.88 149.73 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -154.3 -64.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -55.25 93.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 48.31 26.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.22 41.16 5.6 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.5 1.125 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 t -112.8 124.95 53.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 0.793 . . . . 0.0 109.992 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.6 p -42.42 145.46 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -138.0 137.31 37.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.9 100.33 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.51 135.13 54.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -100.12 142.64 31.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -139.11 156.06 47.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.7 154.04 37.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.364 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 5.7 t -166.6 135.75 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.461 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.25 -162.68 25.66 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 p -120.23 99.8 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 0.803 . . . . 0.0 110.338 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.597 HG23 ' HD2' ' A' ' 60' ' ' PRO . 39.9 mt -77.47 140.76 64.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.06 112.29 3.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.54 112.04 65.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo -75.02 156.31 42.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 110.953 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 16.66 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.597 1.186 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.1 62.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.19 -30.72 3.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.33 130.37 26.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 69.4 m -113.72 106.28 14.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.4 m-85 -86.82 -166.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.2 OUTLIER -131.27 124.61 30.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -113.52 141.73 26.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.03 145.87 31.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.425 HG13 HD12 ' A' ' 59' ' ' ILE . 7.4 mm -141.1 151.67 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 88' ' ' PHE . 10.6 t -159.71 137.25 9.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.343 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.4 pt? -159.6 165.25 33.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.477 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 29.5 m95 -108.91 146.91 33.0 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 tp -112.61 112.14 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.55 -164.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -86.33 -61.79 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.51 HG21 ' CB ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.393 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -4.61 15.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.559 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 4.5 mm -87.46 112.7 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.401 ' O ' HD12 ' A' ' 109' ' ' ILE . 58.1 m -147.96 117.04 6.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 108.341 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CZ ' HG23 ' A' ' 86' ' ' ILE . 9.8 m-85 -126.92 -174.58 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.049 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.951 HG12 ' O ' ' A' ' 107' ' ' GLY . 11.5 p -130.51 156.22 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 44.9 mmtt -122.54 77.14 46.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.564 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.93 162.05 37.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.473 HG23 ' HE1' ' A' ' 95' ' ' MET . 70.8 p -89.85 -172.18 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -23.66 22.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.54 -17.77 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.474 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.7 mtt -64.06 169.78 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 92.7 m -139.06 86.54 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.561 ' HA ' HG23 ' A' ' 141' ' ' VAL . 1.8 mt -42.8 146.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -120.61 99.08 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.828 HG22 ' O ' ' A' ' 104' ' ' ASP . 20.4 p -64.59 139.17 58.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.09 -148.06 4.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.21 -7.86 52.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.548 ' CE1' HG21 ' A' ' 134' ' ' VAL . 3.0 m-70 -105.57 -65.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.384 1.052 . . . . 0.0 109.594 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 t -78.65 162.62 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.828 ' O ' HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -108.95 -65.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 169.85 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -21.59 61.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.951 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 105.73 6.14 38.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.571 1.169 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.85 124.86 48.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 87' ' ' CYS . 5.8 mt -67.24 149.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -112.07 -33.71 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.498 ' HG ' ' CE1' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -44.09 122.51 4.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 115' ' ' HIS . 18.1 Cg_endo -75.05 58.52 4.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -44.15 -25.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.403 ' N ' ' C ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -79.74 -44.28 21.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER -97.0 39.79 1.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.605 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.09 -75.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 110.275 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.474 ' CH2' ' CE1' ' A' ' 119' ' ' HIS . 26.9 t-105 -74.29 -80.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.01 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.548 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER 44.03 41.91 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.968 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.1 -45.79 98.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.565 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.968 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.04 -47.82 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.998 0.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 0.9 OUTLIER 60.47 -68.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -49.84 161.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 127' ' ' LEU . 2.0 m-20 -134.13 172.53 12.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 24' ' ' GLU . 13.5 tp -44.12 -43.68 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 31' ' ' LEU . 9.0 mp -66.28 -46.68 76.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.45 -27.87 72.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.095 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.601 ' C ' HD23 ' A' ' 127' ' ' LEU . 5.2 tt -62.08 -60.38 3.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.472 ' N ' HD23 ' A' ' 127' ' ' LEU . 4.2 mt -59.22 -27.92 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -40.66 90.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.0 t -60.21 -48.13 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.0 ttm -61.46 -36.7 81.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 59' ' ' ILE . 12.2 mt -62.89 -30.3 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.4 t -72.59 -37.65 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 102' ' ' HIS . 20.0 t -78.38 -43.92 26.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.447 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 5.4 m-85 -87.85 17.06 5.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.0 -38.25 1.06 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -65.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.93 160.49 29.04 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.447 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.2 Cg_endo -75.03 -25.63 11.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.561 HG23 ' HA ' ' A' ' 97' ' ' ILE . 7.5 p -174.44 58.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 142' ' ' PHE . 24.7 p90 -57.58 124.99 20.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 5.1 t -91.37 178.16 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.949 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.452 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.4 OUTLIER -89.59 152.71 47.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 111.071 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 206' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.7 pt-20 -58.85 152.48 48.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.474 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -75.07 -84.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.73 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.19 -55.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.443 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.86 148.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.564 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 135.4 19.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 168.28 25.18 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.443 1.759 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 212' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -86.32 155.4 20.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 213' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' SER . 6.2 pt-20 -37.43 -33.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.33 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER -65.34 -56.01 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -64.95 -21.93 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.687 ' O ' HG22 ' A' ' 12' ' ' VAL . 3.5 tp -61.04 -58.26 9.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -28.06 46.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 -20.65 29.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 10.2 mtp -81.64 -29.28 33.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -86.52 -98.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.611 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER 51.96 21.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -118.04 -41.61 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.238 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 3.3 m-85 -52.69 145.73 11.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 3.2 tttp -49.09 -56.76 8.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.421 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 m-85 -112.54 67.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 10.4 ttp-105 -48.89 -46.19 42.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 3.9 p-10 -55.61 -50.49 70.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HB2' ' CB ' ' A' ' 17' ' ' TYR . 8.7 mp -62.45 -35.05 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 25' ' ' THR . 19.7 m -66.13 -55.85 14.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.403 1.064 . . . . 0.0 110.419 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.953 ' O ' HG22 ' A' ' 26' ' ' VAL . 13.8 t -52.27 -45.94 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -42.95 96.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -30.15 64.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 21' ' ' THR . 29.4 m -74.85 -52.54 11.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.953 HG22 ' O ' ' A' ' 22' ' ' VAL . 16.3 m -62.97 -35.19 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -59.24 -47.69 84.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 t -55.37 -67.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.7 pt -53.28 -27.84 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.1 m -72.32 -20.22 61.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tp -91.25 -47.88 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 25.1 m-85 -90.27 -60.24 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 4.1 ttpp 85.98 5.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -111.04 -23.31 11.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.65 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.7 tp -75.84 131.12 39.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -112.98 124.57 31.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.922 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.9 125.54 9.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.495 HG13 ' ND2' ' A' ' 54' ' ' ASN . 1.0 OUTLIER -116.95 157.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -112.64 140.66 47.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.614 ' N ' HD13 ' A' ' 39' ' ' LEU . 2.5 p30 -141.1 158.71 43.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.07 133.12 27.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -149.82 152.23 34.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.469 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 16.3 m -81.91 146.71 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 20.7 m-85 -150.06 -63.77 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 47' ' ' GLY . 6.8 t30 -50.66 94.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' PHE . 14.4 t70 44.67 27.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.71 50.45 2.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -124.93 124.61 42.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.83 146.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.45 139.8 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.79 102.31 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.735 HD21 ' O ' ' A' ' 76' ' ' LEU . 5.2 tt -116.3 129.49 56.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.511 ' HG2' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.6 141.41 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.495 ' ND2' HG13 ' A' ' 38' ' ' VAL . 5.6 p-10 -135.63 165.49 25.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 37' ' ' PRO . 77.7 mt -120.59 158.22 27.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 t -170.53 126.95 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . -174.62 -176.71 43.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.614 1.196 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 24.8 p -111.03 99.34 8.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 0.721 . . . . 0.0 110.465 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.92 HD12 HG12 ' A' ' 132' ' ' ILE . 32.1 pt -74.0 142.97 80.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 17.9 Cg_endo -75.15 107.94 2.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -94.37 123.66 57.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.484 ' CA ' HG23 ' A' ' 67' ' ' THR . 18.2 Cg_endo -75.06 150.16 37.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 66' ' ' ASN . 2.0 t80 -122.19 -148.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -95.24 7.21 46.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.245 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . 169.94 46.49 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 4.3 p30 159.46 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 0.721 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.484 HG23 ' CA ' ' A' ' 62' ' ' PRO . 5.4 m -135.43 120.54 18.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.2 m-85 -89.35 -168.24 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.7 OUTLIER -127.43 108.32 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.468 HD12 ' HD3' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -107.58 128.65 25.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.47 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -75.06 164.12 33.87 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 73' ' ' CYS . 0.0 OUTLIER -163.15 167.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.224 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.513 ' N ' HG23 ' A' ' 72' ' ' ILE . 6.4 t -161.76 145.79 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -163.99 156.56 17.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.722 ' CD1' HG21 ' A' ' 86' ' ' ILE . 13.7 m95 -100.78 154.18 18.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.735 ' O ' HD21 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -114.51 151.8 32.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.755 HD12 ' C ' ' A' ' 83' ' ' ASN . 0.8 OUTLIER -95.63 -170.77 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.33 20.01 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 79' ' ' THR . 52.0 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.755 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.518 ' N ' HD12 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.99 150.77 38.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.411 1.743 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.437 ' HA ' HD13 ' A' ' 114' ' ' LEU . 18.1 Cg_endo -75.06 56.08 4.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.722 HG21 ' CD1' ' A' ' 75' ' ' TRP . 14.3 mm -129.79 86.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.7 m -130.29 101.54 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 108.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 8.3 p90 -135.88 163.0 31.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.824 HG12 ' O ' ' A' ' 107' ' ' GLY . 3.3 p -90.17 163.18 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' N ' HG22 ' A' ' 89' ' ' VAL . 6.9 mmtt -125.27 74.43 67.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.96 156.32 43.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.5 p -83.03 -155.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.2 p -100.33 -39.5 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -9.97 59.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.1 mtt -69.82 -175.37 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.487 ' C ' HG23 ' A' ' 141' ' ' VAL . 88.1 m -156.76 108.23 2.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.485 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.639 HD11 ' HA2' ' A' ' 107' ' ' GLY . 1.1 tt -76.57 136.03 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.37 120.85 43.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 104' ' ' ASP . 21.7 p -73.12 140.05 46.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.348 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.68 -156.81 9.87 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 2.8 mtmt -88.21 49.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 12.0 m80 -165.2 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.0 t -126.87 137.37 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.698 ' O ' HG22 ' A' ' 99' ' ' THR . 2.1 t0 -81.55 -66.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 166.27 40.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -134.19 -34.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.824 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 118.63 -6.15 14.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.16 134.07 34.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 0.798 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.6 mt -75.55 130.43 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -86.11 -49.02 8.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 2.1 mm? -40.82 113.75 1.05 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.261 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 56.66 4.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 38.2 m-85 -58.77 -29.84 67.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 85' ' ' PRO . 6.0 tt -73.07 -39.84 65.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -93.56 32.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -123.09 -73.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.442 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.3 t-105 -62.53 -80.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.564 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 14.0 tttp 45.87 43.18 9.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.987 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.51 -45.64 98.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.584 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.987 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 -45.6 0.44 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.997 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.0 tm0? 59.99 -70.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.591 ' N ' ' O ' ' A' ' 120' ' ' PRO . 3.4 t -40.17 159.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -125.36 175.2 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.606 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -55.58 -47.52 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.356 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.416 HD12 ' H ' ' A' ' 125' ' ' LEU . 7.0 mp -55.88 -44.39 78.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.17 -34.94 87.67 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.2 tt -54.36 -59.46 4.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.794 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.1 mp -63.59 -22.54 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.93 -42.43 76.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.2 -45.63 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.26 -40.15 95.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.92 HG12 HD12 ' A' ' 59' ' ' ILE . 32.0 mt -59.19 -31.79 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.4 t -78.14 -47.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.74 -47.89 89.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -90.03 26.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.65 -5.66 10.95 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.47 1.106 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.73 -61.57 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -101.05 157.86 32.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -26.99 10.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.564 HG23 ' CA ' ' A' ' 97' ' ' ILE . 13.4 p -171.65 62.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.577 1.173 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 10.5 p90 -58.73 133.68 56.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.8 t -96.43 175.07 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.432 ' N ' ' OG ' ' A' ' 143' ' ' SER . 3.4 mmt180 -81.88 160.45 63.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 206' ' ' GLU . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 pt-20 -52.05 150.98 7.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.596 1.185 . . . . 0.0 110.362 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.47 ' CB ' ' HG3' ' A' ' 71' ' ' PRO . 18.2 Cg_endo -74.98 -85.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.413 1.744 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.731 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.91 -55.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.24 149.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 138.63 23.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.94 177.3 8.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.443 1.76 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 212' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -98.47 158.48 15.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 213' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.8 pt-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -44.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.45 -48.03 83.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -71.12 -32.21 68.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.753 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -54.39 -38.12 65.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -27.78 69.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -84.26 -19.0 34.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.904 ' HB3' HD23 ' A' ' 39' ' ' LEU . 63.5 mtt -76.12 0.58 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.483 HG23 ' H ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -134.28 -92.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.483 ' H ' HG23 ' A' ' 12' ' ' VAL . 23.1 t 38.45 30.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' VAL . 9.1 mttp -152.46 -45.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.641 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.6 m-30 -37.27 146.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -45.79 -44.43 14.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 9.8 m-85 -132.84 76.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -52.07 -40.39 61.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.28 -57.98 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 17' ' ' TYR . 10.9 mp -53.89 -37.49 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.641 HG21 ' CD2' ' A' ' 15' ' ' TYR . 65.4 m -68.09 -52.7 32.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.656 ' O ' HG13 ' A' ' 26' ' ' VAL . 17.7 t -61.31 -46.69 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HA ' HG22 ' A' ' 26' ' ' VAL . 1.2 tpt180 -60.31 -31.89 70.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -77.53 -43.32 32.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -67.26 -44.53 79.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.452 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.656 HG13 ' O ' ' A' ' 22' ' ' VAL . 19.6 m -66.8 -40.73 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.801 ' HB3' HD11 ' A' ' 125' ' ' LEU . 10.9 m-20 -55.43 -45.22 76.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 24' ' ' GLU . 55.4 t -57.61 -68.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.438 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 26.2 pt -53.41 -21.01 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.3 m -79.96 -30.88 39.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.627 HD23 ' CZ ' ' A' ' 32' ' ' TYR . 2.4 tp -81.71 -52.23 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CZ ' HD23 ' A' ' 31' ' ' LEU . 51.0 m-85 -99.9 -58.48 1.91 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' CA ' ' O ' ' A' ' 29' ' ' ILE . 4.0 ttpp 81.39 20.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 -23.82 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.591 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 3.0 mm? -79.26 178.75 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -159.68 119.39 1.68 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.58 11.61 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.44 156.76 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 11' ' ' MET . 0.4 OUTLIER -105.01 122.19 45.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -124.27 155.48 38.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.426 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 6.4 t -139.67 121.16 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.4 t80 -152.38 156.53 39.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.584 HG12 ' N ' ' A' ' 49' ' ' SER . 12.0 m -80.95 141.61 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.5 m-85 -143.74 -58.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -57.16 88.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PHE . 12.1 t70 50.23 23.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.72 57.78 1.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.405 ' C ' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -131.31 108.83 9.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.584 ' N ' HG12 ' A' ' 43' ' ' VAL . 39.2 m -39.02 132.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.562 ' CZ ' HD11 ' A' ' 77' ' ' LEU . 2.1 ttm-85 -132.01 136.16 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.695 ' CG ' HD11 ' A' ' 39' ' ' LEU . 2.6 tt0 -106.48 130.33 54.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.248 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.828 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -165.39 154.59 12.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.577 ' SD ' HD13 ' A' ' 8' ' ' LEU . 37.5 ttp -83.12 128.36 34.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 55' ' ' LEU . 6.7 t30 -109.56 154.42 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.179 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 35' ' ' LEU . 4.3 mm? -104.32 136.37 44.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.55 137.39 22.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.401 1.063 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 164.46 -167.8 38.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.571 1.169 . . . . 0.0 111.024 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 1.5 p -131.28 106.75 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 110.43 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.657 HD12 HG12 ' A' ' 132' ' ' ILE . 19.3 pt -83.74 148.28 54.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.96 113.05 3.7 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.401 1.737 . . . . 0.0 111.064 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.607 ' C ' HG23 ' A' ' 67' ' ' THR . 2.3 t -106.52 107.43 60.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.66 ' N ' HG23 ' A' ' 67' ' ' THR . 18.6 Cg_endo -74.93 157.03 43.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.758 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.455 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -135.42 15.11 3.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 3.4 ttt180 81.45 59.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.68 -27.55 3.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -143.59 136.77 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' N ' ' A' ' 62' ' ' PRO . 92.4 m -122.13 109.05 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.7 m-85 -85.14 -167.93 2.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.92 117.94 25.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -112.07 139.68 22.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.933 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -74.96 148.15 35.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.393 1.733 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.539 HD12 ' SD ' ' A' ' 131' ' ' MET . 27.2 mm -133.18 137.27 53.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 3.6 t -131.86 118.33 19.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.265 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.76 HD11 ' SG ' ' A' ' 87' ' ' CYS . 1.1 mm? -131.18 124.71 31.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.826 ' CE3' HD11 ' A' ' 52' ' ' LEU . 54.0 m95 -91.11 84.67 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 124' ' ' LEU . 1.5 tp -61.56 94.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.564 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 2.2 mm? -68.25 -170.98 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -102.81 -29.7 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.599 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.02 112.69 3.62 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.663 ' HG2' HD12 ' A' ' 74' ' ' LEU . 18.1 Cg_endo -75.07 -173.52 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.551 ' O ' HD13 ' A' ' 74' ' ' LEU . 7.2 mt -67.79 114.96 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.985 ' SG ' HD21 ' A' ' 127' ' ' LEU . 74.4 m -102.78 112.29 25.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.597 ' CZ ' ' SG ' ' A' ' 73' ' ' CYS . 3.6 p90 -159.51 142.17 13.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 71' ' ' PRO . 7.5 p -83.77 143.38 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -117.23 84.1 16.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 109.322 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.93 177.2 8.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.404 HG23 ' SD ' ' A' ' 95' ' ' MET . 31.8 p -91.26 -159.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.374 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.0 m -99.86 -30.77 11.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.47 4.35 24.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.476 ' HE3' ' N ' ' B' ' 208' ' ' THR . 0.0 OUTLIER -98.16 -168.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.69 ' C ' HG23 ' A' ' 141' ' ' VAL . 93.7 m -152.77 112.47 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.471 ' N ' HG23 ' A' ' 141' ' ' VAL . 2.5 tt -81.51 149.59 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.42 113.2 25.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.5 p -99.92 139.39 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 110.409 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.96 -126.74 1.11 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -93.32 25.46 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.722 ' HA ' HD21 ' A' ' 111' ' ' LEU . 3.9 m170 -135.7 -63.85 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.586 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.596 HG12 ' H ' ' A' ' 104' ' ' ASP . 2.6 t -105.16 174.32 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.596 ' H ' HG12 ' A' ' 103' ' ' VAL . 1.3 t70 -114.6 -54.88 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 172.15 -41.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.84 -5.01 57.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.61 -13.64 61.0 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.585 1.178 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -60.39 131.31 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 25.7 mt -75.2 153.33 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.549 ' C ' HD22 ' A' ' 111' ' ' LEU . 8.5 t80 -144.54 67.94 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.722 HD21 ' HA ' ' A' ' 102' ' ' HIS . 4.4 mm? -125.94 152.08 72.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 53.9 3.48 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 114' ' ' LEU . 4.9 p90 -108.88 -36.92 5.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 113' ' ' TYR . 0.6 OUTLIER -67.35 -39.06 85.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.98 34.51 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.551 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.48 -78.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.234 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 119' ' ' HIS . 4.0 t90 -49.5 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.562 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 6.2 ttmt 39.63 44.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.969 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -55.14 -45.34 99.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.598 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.969 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.12 -44.36 0.57 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.962 -2.516 . . . . 0.0 110.993 0.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 21.4 tp60 58.9 -68.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 120' ' ' PRO . 7.7 t -38.95 157.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -132.07 176.8 8.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.379 1.049 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -52.77 -41.64 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.801 HD11 ' HB3' ' A' ' 27' ' ' ASN . 9.3 mp -59.46 -36.7 76.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -70.36 -56.32 7.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.438 1.086 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.985 HD21 ' SG ' ' A' ' 87' ' ' CYS . 4.3 tt -41.27 -56.3 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.3 mp -57.97 -39.73 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.9 tt0 -60.22 -44.92 94.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.6 t -62.56 -35.23 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.539 ' SD ' HD12 ' A' ' 72' ' ' ILE . 49.3 ttm -73.85 -42.26 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.657 HG12 HD12 ' A' ' 59' ' ' ILE . 32.1 mt -59.58 -26.85 35.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 129' ' ' GLN . 53.7 t -78.65 -48.7 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.35 -41.19 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.533 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 7.2 m-85 -92.09 17.22 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.73 -16.15 7.07 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.428 1.08 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -101.8 -64.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.4 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 0.2 OUTLIER -91.86 156.85 42.23 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.822 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.533 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.97 -27.53 9.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.69 HG23 ' C ' ' A' ' 96' ' ' THR . 6.3 p -171.39 59.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 142' ' ' PHE . 19.2 p90 -58.79 127.34 31.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 1.2 t -89.68 175.58 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 143' ' ' SER . 13.6 mmt85 -122.28 159.81 50.63 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.448 1.762 . . . . 0.0 110.996 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -46.31 151.12 1.01 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.97 -80.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.534 1.807 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 73.95 -57.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.435 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.09 151.64 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.582 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.95 142.4 27.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.02 170.86 19.48 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.551 1.816 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.27 172.57 8.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.537 ' OE2' HD11 ' A' ' 29' ' ' ILE . 49.9 mm-40 -42.72 -45.55 4.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -58.92 -40.4 84.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -76.68 -37.77 55.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.744 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -57.9 -50.64 72.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 18' ' ' ARG . 1.3 ttpt -60.78 -33.36 72.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -81.98 -13.06 57.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.419 1.074 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' GLN . 16.1 mtm -91.68 9.54 31.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -141.64 -99.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.548 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 69.97 -59.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.918 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -46.32 -26.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.662 ' CD2' HG21 ' A' ' 21' ' ' THR . 1.7 m-85 -48.03 125.56 9.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.39 1.056 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.498 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -39.93 -40.67 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 64.3 m-85 -131.31 66.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 4.4 ttp180 -51.39 -54.81 22.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -56.03 -58.23 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.358 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -51.89 -38.98 58.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.662 HG21 ' CD2' ' A' ' 15' ' ' TYR . 98.9 m -68.7 -59.15 3.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.434 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.834 ' O ' HG22 ' A' ' 26' ' ' VAL . 25.3 t -53.9 -41.62 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 35.1 ttp180 -65.81 -32.5 74.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -43.25 31.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.505 HG23 HD21 ' A' ' 55' ' ' LEU . 7.2 m -64.55 -48.81 73.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.834 HG22 ' O ' ' A' ' 22' ' ' VAL . 36.0 m -62.87 -37.52 79.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 10.3 m-20 -55.41 -45.41 76.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.2 t -58.14 -66.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.537 HD11 ' OE2' ' A' ' 5' ' ' GLU . 25.2 pt -55.17 -26.21 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.5 m -75.27 -20.06 59.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -93.64 -48.06 6.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -96.74 -57.09 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' CA ' ' O ' ' A' ' 29' ' ' ILE . 2.0 ttpt 78.84 20.41 0.78 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -110.07 -23.54 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.222 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.562 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 2.9 mm? -75.96 179.83 5.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.94 119.49 2.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HB2' HD22 ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.11 122.42 7.14 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.501 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -124.88 164.15 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.225 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.846 HD13 ' H ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -112.73 155.25 24.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.846 ' H ' HD13 ' A' ' 39' ' ' LEU . 2.9 p30 -148.48 145.08 27.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -121.86 119.08 30.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -133.62 150.97 51.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.3 m -89.37 147.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 48.0 m-85 -150.34 -63.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -52.4 95.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 45.03 27.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 89.75 52.06 2.72 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -125.34 121.19 33.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.9 p -39.08 153.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' TYR . 1.1 ttm180 -147.91 139.05 23.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.13 105.05 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.62 133.37 47.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.679 ' HA ' HD22 ' A' ' 39' ' ' LEU . 2.1 ppp? -91.52 174.9 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 6.8 p-10 -168.48 160.02 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.505 HD21 HG23 ' A' ' 25' ' ' THR . 4.3 mt -114.17 153.45 29.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 t -164.46 141.73 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 172.78 -165.61 38.04 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -126.41 105.96 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.562 ' CG2' ' CD2' ' A' ' 35' ' ' LEU . 38.7 pt -88.35 149.38 44.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.93 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 111.058 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 61' ' ' VAL . 2.2 t -105.31 106.51 56.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.09 36.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -120.49 18.25 12.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.15 . . . . 0.0 111.056 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER 84.09 2.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.237 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.36 -45.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -125.46 141.56 51.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.233 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 m -110.51 103.39 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.49 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.8 m-85 -86.96 -165.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -132.98 118.24 18.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.336 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -110.15 136.04 20.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 18.5 Cg_endo -75.0 150.66 38.5 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.546 1.814 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mm -138.48 152.87 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 90' ' ' LYS . 22.5 t -163.11 109.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.8 pt? -132.52 165.63 23.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.48 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 48.7 m95 -98.76 154.6 17.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.563 HD22 ' SD ' ' A' ' 53' ' ' MET . 1.9 tp -125.85 110.24 13.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.486 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 8.4 mt -55.99 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -143.36 31.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.8 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 127' ' ' LEU . 2.4 t-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 112.83 3.65 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.812 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.694 ' O ' HD13 ' A' ' 86' ' ' ILE . 18.1 Cg_endo -75.04 50.88 2.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.694 HD13 ' O ' ' A' ' 85' ' ' PRO . 17.0 mm -144.96 107.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -129.18 128.03 42.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 108.271 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.664 ' CE2' ' CG2' ' A' ' 86' ' ' ILE . 30.4 m-85 -137.69 169.46 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.968 HG12 ' O ' ' A' ' 107' ' ' GLY . 8.0 p -117.03 167.09 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 71' ' ' PRO . 12.8 mmtm -126.58 72.11 73.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.877 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.01 161.69 38.31 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.451 1.764 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.8 p -103.85 -173.48 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -83.08 -37.86 23.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -6.87 54.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.3 mtt -80.82 -173.95 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.8 m -153.0 104.8 2.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.758 HD11 ' HA2' ' A' ' 107' ' ' GLY . 1.3 tt -70.09 140.07 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.452 ' O ' ' CG ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -120.42 97.02 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 79.2 p -60.01 150.43 29.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 101' ' ' LYS . . . 92.96 169.04 39.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.55 1.156 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 5.8 mtpp 75.84 -49.46 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 0.808 . . . . 0.0 109.242 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.474 ' ND1' HG23 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -172.8 34.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.604 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -155.35 162.97 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.7 OUTLIER -120.44 -67.24 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 171.19 38.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.24 16.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.968 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 63.74 16.81 59.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.48 147.64 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.604 HD13 ' SD ' ' A' ' 131' ' ' MET . 5.6 mt -82.72 139.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.75 -153.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.415 ' HB2' ' NE2' ' A' ' 102' ' ' HIS . 4.5 mm? 65.99 163.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 113' ' ' TYR . 18.0 Cg_endo -75.09 4.99 4.29 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.786 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 112' ' ' PRO . 1.9 t80 -32.19 -47.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.437 HD23 ' SG ' ' A' ' 87' ' ' CYS . 0.9 OUTLIER -74.86 -50.05 18.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 115' ' ' HIS . 15.9 t60 -93.11 47.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.62 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 112' ' ' PRO . 1.3 tt0 -124.08 -71.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 119' ' ' HIS . 3.8 t90 -65.55 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 108.02 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.576 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 38.5 47.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 1.01 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -55.99 -44.58 99.76 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.545 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 1.01 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.0 -51.54 0.16 OUTLIER 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.019 0.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 27.8 tp60 63.38 -64.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.0 OUTLIER -52.61 164.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -134.35 171.56 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -42.88 -57.83 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.35 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 mp -47.19 -61.16 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.212 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.1 -40.2 65.89 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 83' ' ' ASN . 9.2 tt -57.13 -48.47 78.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.4 mm -59.39 -34.97 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -60.71 -46.92 88.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.37 -41.32 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.604 ' SD ' HD13 ' A' ' 109' ' ' ILE . 9.3 tpp -65.46 -36.91 85.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.502 ' CG1' HD12 ' A' ' 59' ' ' ILE . 4.8 mt -60.66 -35.24 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 23.8 t -78.15 -38.11 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.66 -31.92 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 140' ' ' PRO . 2.1 m-30 -111.16 32.87 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -130.84 -47.93 0.13 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -54.78 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -109.21 157.72 36.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.21 3.74 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.433 1.754 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 18.5 Cg_endo -74.9 -28.46 9.34 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.435 1.755 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' A' ' 97' ' ' ILE . 13.8 p -170.19 61.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 32.8 p90 -59.08 129.64 43.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 5.2 t -97.26 177.96 5.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.449 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -62.53 152.31 81.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.962 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 206' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 pt-20 -52.66 148.66 12.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.491 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.97 -85.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.723 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.37 -55.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.72 149.23 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . 18.5 Cg_endo -74.91 137.97 22.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 167.38 27.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 212' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.0 OUTLIER -85.03 152.56 23.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 213' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.7 pt-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.31 -46.22 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -49.18 68.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' MET . 3.0 tt0 -61.22 -25.07 66.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.49 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -67.61 -48.28 67.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HG3' HG21 ' A' ' 22' ' ' VAL . 5.3 ttmt -69.63 -32.66 71.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -12.76 55.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.747 ' CG ' HD23 ' A' ' 39' ' ' LEU . 8.9 ttm -78.7 -12.27 60.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -123.08 -84.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.576 1.173 . . . . 0.0 109.279 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.56 29.6 11.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -143.75 -47.38 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.547 ' HD2' HG21 ' A' ' 21' ' ' THR . 5.4 m-30 -46.75 135.72 8.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.0 OUTLIER -44.26 -57.09 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -94.69 63.9 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -55.88 -29.15 59.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -84.33 -56.93 3.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.461 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 1.8 tp -55.47 -30.61 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.547 HG21 ' HD2' ' A' ' 15' ' ' TYR . 42.2 m -69.84 -56.49 6.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.962 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.5 t -61.27 -42.46 93.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.66 -20.01 64.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.677 ' HB3' HD22 ' A' ' 124' ' ' LEU . 7.8 mt-10 -76.64 -33.69 58.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.299 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.5 m -83.41 -47.54 11.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.962 HG13 ' O ' ' A' ' 22' ' ' VAL . 11.6 m -47.24 -53.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.676 ' OD1' HD21 ' A' ' 125' ' ' LEU . 4.3 p30 -61.58 -44.71 96.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.399 1.062 . . . . 0.0 109.213 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.646 HG13 ' CE2' ' A' ' 32' ' ' TYR . 1.8 t -57.56 -65.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.511 ' N ' HG12 ' A' ' 28' ' ' VAL . 13.5 pt -55.49 -29.01 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.395 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -70.41 -23.36 62.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD23 ' CE1' ' A' ' 32' ' ' TYR . 2.3 tp -88.34 -49.74 6.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.746 ' CZ ' HG21 ' A' ' 128' ' ' ILE . 3.9 m-85 -87.3 -61.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ILE . 5.2 ttpm? 81.73 4.44 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.29 -24.01 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.61 98.76 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 119.52 76.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.506 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -74.98 119.62 5.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -119.78 160.48 20.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.846 HD13 ' N ' ' A' ' 40' ' ' ASP . 2.9 tm? -114.23 143.79 44.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.846 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.5 p30 -132.15 144.09 50.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.2 t -130.08 131.54 45.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.2 t80 -148.16 142.12 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.657 HG12 ' N ' ' A' ' 49' ' ' SER . 19.8 m -77.34 144.75 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.192 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 39.3 m-85 -146.97 -62.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 47' ' ' GLY . 34.0 m-20 -58.05 98.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 47.06 25.93 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 86.6 55.51 2.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' SER . 8.6 t -126.35 113.68 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.657 ' N ' HG12 ' A' ' 43' ' ' VAL . 39.3 m -37.54 144.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.05 137.26 42.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.23 119.59 23.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.48 124.66 15.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.552 ' HA ' HD22 ' A' ' 39' ' ' LEU . 17.6 ptm -96.16 138.59 33.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -129.27 171.77 12.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 37' ' ' PRO . 3.8 mt -128.96 146.39 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.7 t -162.36 131.59 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.45 -173.02 44.24 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.412 HG22 ' HB3' ' B' ' 207' ' ' PRO . 7.6 p -106.33 108.3 19.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.395 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.489 HG22 HG22 ' A' ' 70' ' ' ILE . 0.5 OUTLIER -88.61 145.82 36.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.357 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.05 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.65 111.17 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo -74.98 134.09 17.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.559 1.82 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -128.49 -171.02 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.94 49.03 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.7 -38.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 178.78 -175.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 0.793 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 6.5 m -103.57 109.26 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.581 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.7 m-85 -86.66 -167.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -131.18 116.92 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.489 HG22 HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -112.33 138.89 22.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.849 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.1 Cg_endo -75.06 150.13 37.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' THR . 10.5 mm -138.17 150.98 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.245 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 88' ' ' PHE . 25.8 t -155.39 113.12 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 108.301 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 55' ' ' LEU . 2.5 pt? -141.42 160.92 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -106.47 144.21 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 124' ' ' LEU . 4.7 tp -116.2 116.97 28.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 mp -82.93 -176.44 6.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.483 ' HA ' ' CD2' ' A' ' 15' ' ' TYR . 3.2 m-20 -71.56 -62.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.229 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.475 HG21 ' HB3' ' A' ' 16' ' ' LYS . 2.3 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.438 ' CB ' ' CD ' ' A' ' 84' ' ' PRO . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.568 ' HG3' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.0 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 86' ' ' ILE . 18.5 Cg_endo -74.96 -66.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 85' ' ' PRO . 6.4 mt -31.95 108.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.409 ' HB2' HD12 ' A' ' 109' ' ' ILE . 6.9 p -141.0 134.88 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 108.26 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.537 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 16.7 p90 -172.66 175.14 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 71' ' ' PRO . 2.2 p -126.24 148.49 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 86.43 18.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.49 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -75.03 157.98 42.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.4 p -74.93 176.43 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.349 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.81 -34.07 39.84 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -10.55 59.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.5 mtt -81.72 -169.8 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 97' ' ' ILE . 2.4 m -119.23 -144.29 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.408 ' H ' HG22 ' A' ' 96' ' ' THR . 0.2 OUTLIER 174.17 130.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 122.41 41.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 104' ' ' ASP . 41.7 p -96.56 138.74 33.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.68 -144.13 6.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.99 50.36 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 0.713 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.576 ' CE1' HG13 ' A' ' 134' ' ' VAL . 4.0 m-70 -161.88 -50.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.555 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 104' ' ' ASP . 3.8 t -118.94 167.27 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.589 ' O ' HG22 ' A' ' 99' ' ' THR . 1.9 t70 -104.79 -55.55 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.419 1.075 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 171.35 -34.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -92.72 -0.77 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 100.68 -5.51 56.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -68.98 129.45 39.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.656 HD11 ' SD ' ' A' ' 131' ' ' MET . 88.5 mt -68.59 132.94 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -145.85 101.72 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.756 HD21 ' HB2' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -177.34 173.21 0.73 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.305 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 83.17 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.756 ' HB2' HD21 ' A' ' 111' ' ' LEU . 16.0 t80 -126.67 -42.61 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 115' ' ' HIS . 0.3 OUTLIER -75.61 -42.88 50.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.415 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 41.4 t60 -96.68 39.04 1.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.594 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.97 -75.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 118' ' ' LYS . 54.4 t-105 -63.21 -79.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.558 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.6 tttp 37.22 43.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.973 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -53.38 -45.61 98.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.602 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.973 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.0 -49.73 0.22 Allowed 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.954 -0.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.445 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 30.4 tp60 63.55 -64.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 120' ' ' PRO . 16.1 t -39.87 139.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.29 177.87 6.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -44.9 -55.72 5.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.676 HD21 ' OD1' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -46.84 -61.68 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.8 88.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 4.4 tt -41.44 -61.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.746 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 3.0 mp -66.89 -35.13 73.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -56.21 -44.65 79.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 134' ' ' VAL . 37.3 t -67.24 -39.57 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.656 ' SD ' HD11 ' A' ' 109' ' ' ILE . 16.8 tpp -68.75 -41.16 79.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 111.053 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.468 HD12 HG22 ' A' ' 128' ' ' ILE . 29.3 mt -61.4 -31.72 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.1 t -79.82 -50.55 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 130' ' ' VAL . 78.6 t -56.6 -50.96 71.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.446 ' CE1' ' SD ' ' A' ' 131' ' ' MET . 8.1 m-85 -87.94 22.22 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -118.12 -39.41 0.75 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -64.89 -65.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -103.07 164.3 15.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.401 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.4 Cg_endo -74.85 -26.93 10.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 141' ' ' VAL . 14.0 p -171.66 63.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 142' ' ' PHE . 23.8 p90 -61.9 132.35 52.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.81 169.58 11.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -93.59 127.5 45.84 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 206' ' ' GLU . . . . . 0.418 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -52.49 151.26 7.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.1 Cg_endo -75.04 -81.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.578 1.83 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 73.88 -55.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.445 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.35 149.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.581 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.95 135.41 19.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.797 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.95 171.58 18.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 212' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -90.5 162.01 15.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 213' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.244 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.445 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 3.1 tm-20 -38.48 -32.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 4' ' ' SER . 9.0 t -62.17 -59.22 5.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.65 -26.66 68.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.086 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.66 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -54.33 -61.32 2.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -24.16 4.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.7 -29.23 30.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -76.84 -16.26 59.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -110.17 -95.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.523 ' H ' HG23 ' A' ' 12' ' ' VAL . 57.4 p 56.75 16.83 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -33.78 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.858 ' CD2' HG21 ' A' ' 21' ' ' THR . 4.4 m-85 -50.16 129.0 20.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -34.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' THR . 17.7 m-85 -135.13 63.34 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 9.8 ttp-105 -48.34 -47.39 37.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -56.64 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -28.17 67.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.858 HG21 ' CD2' ' A' ' 15' ' ' TYR . 53.9 m -73.19 -59.14 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.74 ' O ' HG22 ' A' ' 26' ' ' VAL . 25.5 t -59.44 -34.47 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -66.32 -39.56 89.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -34.49 63.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.711 HG23 HD21 ' A' ' 55' ' ' LEU . 2.8 m -68.02 -52.83 31.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 22' ' ' VAL . 27.4 m -62.18 -39.05 82.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' HB3' HD21 ' A' ' 125' ' ' LEU . 7.0 m-20 -53.85 -42.23 68.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.96 -66.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.405 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 20.9 pt -55.21 -23.36 13.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -72.54 -27.17 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.592 HD23 ' CD1' ' A' ' 32' ' ' TYR . 1.3 tt -88.08 -48.15 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.592 ' CD1' HD23 ' A' ' 31' ' ' LEU . 26.6 m-85 -90.55 -64.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 85.46 15.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -109.67 -23.77 11.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.98 174.01 10.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -153.12 121.44 3.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.96 121.86 6.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.562 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -116.36 158.38 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.569 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -110.17 133.82 52.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.569 ' N ' HD13 ' A' ' 39' ' ' LEU . 42.4 p30 -134.75 153.93 51.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -135.9 134.31 38.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.188 . . . . 0.0 109.945 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.5 t80 -147.71 151.19 35.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.411 1.069 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 m -79.58 140.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 29.8 m-85 -144.15 -66.64 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.432 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -49.7 96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' PHE . 8.6 t70 42.9 28.2 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 109.239 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 87.7 63.56 1.4 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -138.75 117.81 12.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 0.741 . . . . 0.0 109.946 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 p -39.99 142.63 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.407 1.067 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.76 135.71 26.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.82 110.89 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.638 HD22 ' HE3' ' A' ' 75' ' ' TRP . 0.7 OUTLIER -123.33 160.18 27.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.55 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.6 ttp -114.73 157.09 23.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.562 ' ND2' HG13 ' A' ' 38' ' ' VAL . 4.7 p-10 -153.15 166.77 31.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.711 HD21 HG23 ' A' ' 25' ' ' THR . 4.7 mt -126.72 154.49 44.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 t -166.09 147.82 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.26 -169.13 39.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.589 1.181 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.625 HG21 ' O ' ' B' ' 205' ' ' PRO . 1.3 p -112.9 115.51 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 110.46 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.692 HG21 HG12 ' A' ' 132' ' ' ILE . 13.6 mt -86.7 133.97 38.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.01 102.99 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.483 1.781 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 67' ' ' THR . 2.2 t -91.91 113.95 60.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 161.39 38.6 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.456 1.766 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 66' ' ' ASN . 0.4 OUTLIER -139.48 -146.73 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.88 53.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . 115.95 26.49 3.26 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.4 m120 -162.81 170.69 17.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 65.8 m -151.45 101.13 2.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 3.5 m-85 -84.03 -170.89 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.18 120.92 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.437 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -108.18 151.55 41.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.762 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.03 148.1 34.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.575 1.829 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.643 HG13 HD12 ' A' ' 59' ' ' ILE . 18.9 mm -145.72 140.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.243 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.593 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 4.2 t -156.78 118.31 3.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -144.49 138.73 27.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.638 ' HE3' HD22 ' A' ' 52' ' ' LEU . 21.6 m95 -79.87 178.82 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.025 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.454 ' O ' HD21 ' A' ' 52' ' ' LEU . 6.2 tp -141.74 129.8 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.381 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.727 HD23 ' HB3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -101.0 -175.88 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.03 -44.62 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.515 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 83' ' ' ASN . 18.1 Cg_endo -75.07 111.27 3.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.727 ' HB3' HD23 ' A' ' 77' ' ' LEU . 18.0 Cg_endo -75.04 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.962 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 73.2 mt -127.86 146.43 33.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 74.0 m -136.39 138.36 41.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.276 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 3.2 p90 -173.84 161.71 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 71' ' ' PRO . 14.8 p -103.02 149.98 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 1.5 mmtp -118.97 79.5 17.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.612 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.4 Cg_endo -74.98 156.92 43.11 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.441 1.758 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 p -73.73 -161.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.7 -29.82 12.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.45 -15.44 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.453 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.5 mtt -62.57 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.1 m -156.39 103.92 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.7 tt -81.54 155.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -131.19 111.48 11.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.178 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.826 HG22 ' O ' ' A' ' 104' ' ' ASP . 34.3 p -65.47 139.38 58.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.31 -154.68 10.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.7 47.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -160.76 -48.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 0.0 109.639 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.2 t -116.67 145.89 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.826 ' O ' HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -86.38 -55.46 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 163.42 -34.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -88.58 -1.57 58.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.467 ' CA ' HG12 ' A' ' 89' ' ' VAL . . . 101.6 -21.65 41.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.32 116.78 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.1 mt -57.56 130.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -102.08 54.95 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 111' ' ' LEU . 16.0 mt -131.47 160.43 67.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.4 Cg_endo -74.99 -54.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.454 ' OH ' HG12 ' A' ' 130' ' ' VAL . 0.8 OUTLIER 59.71 -77.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 114' ' ' LEU . 5.1 tt -54.05 -44.04 70.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.82 33.73 2.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -130.58 -67.28 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.252 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.0 t-105 -75.42 -81.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.523 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER 46.14 42.77 10.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.232 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.974 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.16 -45.99 98.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.974 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.96 -46.85 0.34 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.029 -0.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 58.1 -72.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -43.49 147.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -133.03 178.25 7.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.65 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -40.18 -49.63 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 27' ' ' ASN . 9.9 mp -61.62 -55.46 30.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -52.63 -41.47 57.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 84' ' ' PRO . 7.7 tt -49.03 -57.13 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.3 mp -63.2 -33.31 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.83 -43.9 91.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.454 HG12 ' OH ' ' A' ' 113' ' ' TYR . 6.5 t -59.94 -44.13 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 22.4 ttm -63.96 -36.15 83.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.692 HG12 HG21 ' A' ' 59' ' ' ILE . 36.9 mt -66.37 -26.88 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 t -79.17 -31.82 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.55 -40.03 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 3.7 m-30 -95.09 21.88 7.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.28 -29.69 2.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.48 -65.8 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 0.73 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.95 163.32 19.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.25 3.75 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.45 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.99 -28.22 9.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.612 HG21 ' HB3' ' A' ' 91' ' ' PRO . 14.7 p -171.95 60.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 41.0 p90 -58.8 132.93 55.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 2.4 t -97.72 175.89 6.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.439 ' N ' ' OG ' ' A' ' 143' ' ' SER . 35.5 ptt85 -88.13 156.99 51.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 110.966 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.625 ' O ' HG21 ' A' ' 58' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -47.12 149.01 1.8 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.453 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.4 Cg_endo -75.0 -83.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.718 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.82 -57.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.88 151.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.528 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 138.88 23.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.05 178.97 6.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 212' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -123.23 154.53 38.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 213' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.473 ' HB3' HD12 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -35.14 -36.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.341 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER -62.36 -60.5 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -23.02 62.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 4' ' ' SER . 0.1 OUTLIER -61.87 -34.39 75.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.593 ' HG3' HG21 ' A' ' 22' ' ' VAL . 6.8 tmtt? -68.31 -30.5 69.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -85.79 -11.98 52.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.504 ' SD ' ' CB ' ' A' ' 39' ' ' LEU . 2.8 mtm -78.49 -10.45 59.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.532 HG12 ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.85 -93.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.6 28.29 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.32 22.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.532 ' CE1' HG12 ' A' ' 12' ' ' VAL . 3.1 m-85 -107.1 148.23 29.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.577 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -51.71 -24.53 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 0.0 109.368 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 13.6 m-85 -151.46 69.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 111.062 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.0 ttp-105 -59.68 -43.65 93.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 110.23 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.67 -55.34 36.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.02 -32.3 70.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -71.62 -52.36 18.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.669 ' O ' HG13 ' A' ' 26' ' ' VAL . 54.7 t -56.02 -41.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -33.95 72.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.015 ' O ' HG23 ' A' ' 28' ' ' VAL . 13.1 mt-10 -73.96 -43.15 59.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -62.19 -48.99 77.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 22' ' ' VAL . 23.0 m -63.08 -41.21 91.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.483 ' HB3' HD21 ' A' ' 125' ' ' LEU . 88.4 m-20 -62.49 -38.24 89.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.015 HG23 ' O ' ' A' ' 24' ' ' GLU . 79.2 t -61.03 -61.4 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.767 HG22 ' O ' ' A' ' 35' ' ' LEU . 47.7 pt -59.97 -32.12 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.193 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 19.0 m -71.95 -23.34 61.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 32' ' ' TYR . 4.0 tp -85.82 -49.25 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.674 ' CZ ' HD23 ' A' ' 31' ' ' LEU . 31.5 m-85 -104.79 -58.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 86.74 1.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.601 1.188 . . . . 0.0 109.352 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -96.47 -24.15 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.767 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -87.85 96.74 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -82.25 121.18 78.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD3' HG21 ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.06 138.55 23.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.734 HG13 ' OD1' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -138.28 159.77 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.646 HD13 ' N ' ' A' ' 40' ' ' ASP . 1.8 tm? -113.76 135.74 53.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.646 ' N ' HD13 ' A' ' 39' ' ' LEU . 8.4 p-10 -138.93 136.28 35.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 30.5 t -129.76 133.97 47.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 4.0 t80 -164.62 169.12 17.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.5 139.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.8 m-85 -141.79 -62.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.3 m120 -52.13 92.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 25.3 t70 43.09 28.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 93.64 61.27 1.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.68 115.59 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 t -42.21 141.07 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -142.4 140.48 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -110.21 112.02 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.81 HD11 ' CE3' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -149.02 145.23 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.636 ' N ' HD22 ' A' ' 52' ' ' LEU . 27.9 ptm -91.0 149.24 21.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.069 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.734 ' OD1' HG13 ' A' ' 38' ' ' VAL . 6.1 p30 -125.67 165.54 18.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 54' ' ' ASN . 3.8 mm? -118.61 141.56 48.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 t -149.8 144.41 25.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 155.01 -170.5 33.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.8 p -122.87 110.99 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.338 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.1 pt -80.5 146.07 60.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.76 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.614 ' C ' HG23 ' A' ' 67' ' ' THR . 2.5 t -99.61 114.62 65.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.581 ' N ' HG23 ' A' ' 67' ' ' THR . 18.3 Cg_endo -75.01 155.57 42.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.414 1.744 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.458 ' CB ' ' OD1' ' A' ' 66' ' ' ASN . 1.3 t80 -124.69 -147.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -94.59 5.85 50.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.61 41.65 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.458 ' OD1' ' CB ' ' A' ' 63' ' ' TYR . 3.6 p30 168.43 -176.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.614 HG23 ' C ' ' A' ' 61' ' ' VAL . 88.9 m -153.52 113.74 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 0.8 OUTLIER -88.09 -165.28 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.7 OUTLIER -124.83 112.61 16.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -108.29 133.34 20.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.03 164.0 34.17 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.539 HD11 ' SD ' ' A' ' 131' ' ' MET . 0.0 OUTLIER -165.91 167.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 7.6 t -167.99 143.0 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.553 1.158 . . . . 0.0 108.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -150.84 157.71 43.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.81 ' CE3' HD11 ' A' ' 52' ' ' LEU . 16.1 m95 -107.14 100.03 9.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.023 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 124' ' ' LEU . 1.1 tp -68.82 79.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.43 178.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.552 ' C ' HG22 ' A' ' 79' ' ' THR . 20.8 p-10 -70.27 -33.66 71.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.552 HG22 ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 110.416 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.627 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.01 115.85 4.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.446 ' HD2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.96 179.8 5.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.418 1.746 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 7.0 mt -67.39 121.92 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.405 ' HB3' ' HE1' ' A' ' 131' ' ' MET . 93.6 m -113.49 113.33 24.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 6.1 p90 -144.35 135.39 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.817 HG12 ' O ' ' A' ' 107' ' ' GLY . 4.4 p -80.62 148.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -122.78 89.66 50.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.379 1.049 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.536 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.4 Cg_endo -74.94 159.76 41.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.409 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 59.2 p -80.51 -135.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -44.63 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.6 t -74.1 -9.72 58.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 1.9 mtm -81.19 179.19 7.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.755 ' C ' HG23 ' A' ' 141' ' ' VAL . 1.3 t -154.61 126.67 7.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 105' ' ' ALA . 2.0 mt -66.8 150.66 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.44 81.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 104' ' ' ASP . 39.8 p -61.96 138.69 58.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.83 -137.98 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -93.5 36.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.511 ' CE1' HG13 ' A' ' 134' ' ' VAL . 1.9 m-70 -148.67 -55.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.1 t -111.3 152.02 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.586 ' O ' HG22 ' A' ' 99' ' ' THR . 1.1 t0 -91.71 -65.06 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 174.0 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -9.59 56.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.817 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 94.35 19.87 31.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.74 144.55 31.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.34 141.4 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -94.49 -54.45 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.7 mt -42.63 119.37 2.43 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 53.37 3.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.527 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.2 p90 -65.22 -39.38 92.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.527 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -56.6 -35.09 67.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.435 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 4.3 t-160 -99.09 28.93 4.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -120.11 -73.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 43.6 t-105 -64.75 -80.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.049 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.557 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER 36.53 42.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.997 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -54.58 -45.28 99.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.55 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.997 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.99 -49.8 0.21 Allowed 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.005 0.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.447 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 29.1 tp60 63.33 -65.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 120' ' ' PRO . 5.5 t -44.61 161.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -127.15 173.54 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 76' ' ' LEU . 1.8 tp -50.56 -38.45 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 27' ' ' ASN . 10.1 mp -61.17 -56.55 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.42 -43.46 93.93 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.537 1.148 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.647 ' C ' HD23 ' A' ' 127' ' ' LEU . 3.9 tt -47.29 -64.51 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.55 HG22 ' CD1' ' A' ' 132' ' ' ILE . 4.7 mt -59.11 -30.8 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 132' ' ' ILE . 5.9 tt0 -58.71 -43.72 90.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.578 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.0 t -64.62 -42.3 94.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.539 ' SD ' HD11 ' A' ' 72' ' ' ILE . 17.1 ttm -66.81 -32.83 74.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.55 ' CD1' HG22 ' A' ' 128' ' ' ILE . 24.6 mt -64.16 -36.86 78.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 19.9 t -77.47 -33.96 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 130' ' ' VAL . 60.9 t -71.53 -50.61 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.6 m-85 -90.59 19.38 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.419 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -114.33 -13.44 9.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.77 -60.95 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.79 159.68 28.7 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.405 1.739 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.52 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.1 Cg_endo -75.1 -28.71 8.78 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.755 HG23 ' C ' ' A' ' 96' ' ' THR . 8.1 p -170.11 61.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.415 ' O ' HG22 ' A' ' 96' ' ' THR . 19.0 p90 -57.51 140.78 49.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.4 t -103.13 174.25 5.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.428 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.1 OUTLIER -63.23 148.82 92.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.223 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -54.75 150.02 20.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.98 -87.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.72 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 77.64 -53.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.64 150.53 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.414 ' CD ' HD12 ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.09 144.7 30.25 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.02 -168.55 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -118.43 162.58 18.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.73 -46.0 10.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.74 -37.88 88.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.04 -19.46 51.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.632 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -68.48 -40.89 80.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HG2' ' NH1' ' A' ' 18' ' ' ARG . 18.3 tttt -67.27 -41.48 85.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -79.53 -12.17 59.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.745 ' CG ' HD23 ' A' ' 39' ' ' LEU . 9.0 ttm -78.41 -15.42 58.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -125.15 -96.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.571 ' H ' HG23 ' A' ' 12' ' ' VAL . 12.8 t 55.76 20.13 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.966 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 15' ' ' TYR . 9.1 ttpt -141.66 -45.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 14' ' ' LYS . 2.5 m-30 -34.05 150.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -50.72 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -133.1 58.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.414 ' NH1' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -44.21 -28.7 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -69.5 -55.88 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.5 -40.69 83.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.644 HG23 HD21 ' A' ' 76' ' ' LEU . 53.5 m -62.46 -49.94 73.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.891 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.4 t -59.66 -46.77 92.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 30.3 ttp180 -67.39 -30.29 70.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.4 mm-40 -76.05 -41.83 49.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.625 HG23 HD11 ' A' ' 55' ' ' LEU . 18.7 m -68.47 -55.89 10.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.133 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.891 HG22 ' O ' ' A' ' 22' ' ' VAL . 30.5 m -52.37 -40.11 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.702 ' HB3' HD11 ' A' ' 125' ' ' LEU . 5.3 m-20 -55.53 -47.36 76.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.23 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.587 ' CG2' HD23 ' A' ' 124' ' ' LEU . 67.9 t -56.85 -68.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' LYS . 19.3 pt -52.14 -28.65 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -69.2 -23.12 63.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -46.48 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 74.5 m-85 -92.65 -63.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER 88.04 11.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.91 -20.63 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -80.59 166.33 21.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -154.97 122.18 2.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 128.71 11.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -125.82 161.87 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.745 HD23 ' CG ' ' A' ' 11' ' ' MET . 1.3 tm? -119.82 119.37 33.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.564 ' OD2' ' CH2' ' A' ' 75' ' ' TRP . 42.0 p30 -131.22 160.18 35.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 40.3 t -143.31 127.25 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 6.8 t80 -152.21 162.95 40.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 49' ' ' SER . 10.4 m -78.35 139.52 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 24.1 m-85 -143.72 -67.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -51.38 98.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 t0 50.35 27.31 2.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.1 49.36 5.61 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.1 t -121.29 121.75 38.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 0.735 . . . . 0.0 109.971 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.572 ' N ' HG12 ' A' ' 43' ' ' VAL . 15.7 m -38.21 142.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.409 1.068 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 41' ' ' SER . 5.8 ttm180 -149.52 141.21 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -114.65 136.85 52.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -172.81 152.39 2.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.567 ' HA ' HD22 ' A' ' 39' ' ' LEU . 3.1 ppp? -86.5 139.48 30.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' HD22 ' A' ' 55' ' ' LEU . 7.0 p-10 -125.23 164.28 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 25' ' ' THR . 3.1 mm? -105.04 148.99 26.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' LYS . 3.8 t -153.87 139.66 18.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.43 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 156.77 170.21 21.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.598 HG22 ' HB3' ' B' ' 207' ' ' PRO . 10.8 p -103.45 103.41 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.939 HD13 HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -70.06 138.27 87.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 92.83 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 67' ' ' THR . 2.4 t -77.38 114.09 37.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.11 43.1 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.36 -163.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -12.18 60.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.237 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 66' ' ' ASN . . . -178.43 34.91 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.442 1.088 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 3.2 m120 -164.39 -178.47 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 0.721 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 38.2 m -156.27 107.84 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.585 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.5 m-85 -89.91 -170.74 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -127.7 110.76 12.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -109.17 128.72 24.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.606 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.97 157.8 42.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.747 HD11 ' SD ' ' A' ' 131' ' ' MET . 0.1 OUTLIER -147.21 167.83 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 88' ' ' PHE . 11.8 t -151.96 103.5 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HA ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -102.5 135.83 43.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.564 ' CH2' ' OD2' ' A' ' 40' ' ' ASP . 93.7 m95 -103.68 91.93 4.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.644 HD21 HG23 ' A' ' 21' ' ' THR . 7.5 tp -79.72 98.52 7.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.591 HD22 ' OD1' ' A' ' 78' ' ' ASP . 0.7 OUTLIER -68.62 -158.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.247 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.591 ' OD1' HD22 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -88.11 45.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 79' ' ' THR . 5.5 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.419 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.34 3.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.496 1.788 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.803 ' HB2' HD22 ' A' ' 114' ' ' LEU . 18.2 Cg_endo -75.04 55.56 4.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.445 1.761 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.48 HG22 ' CD1' ' A' ' 75' ' ' TRP . 19.7 mt -117.85 94.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 40.0 m -116.1 131.87 56.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.462 ' HE1' HG23 ' A' ' 86' ' ' ILE . 19.7 m-85 -137.28 173.19 11.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 107' ' ' GLY . 10.0 p -131.2 152.6 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -118.16 80.04 15.09 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -170.25 0.75 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 p -118.69 -139.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.21 -42.87 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.47 -8.14 57.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.536 ' HE3' ' HB2' ' B' ' 207' ' ' PRO . 3.5 mtt -65.74 -173.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.0 m -151.36 86.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.391 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.716 ' HA ' HG23 ' A' ' 141' ' ' VAL . 0.7 OUTLIER -58.39 134.23 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.379 1.049 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 102.03 11.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 72.3 p -82.73 138.06 34.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.07 -136.96 4.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 47.76 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 0.738 . . . . 0.0 109.369 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.749 ' CD2' HD13 ' A' ' 111' ' ' LEU . 3.6 m80 -163.74 -56.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.656 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 104' ' ' ASP . 1.6 t -112.06 170.47 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.7 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -117.68 -58.23 2.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 163.07 -38.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.7 0.79 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.733 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 85.53 23.94 44.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.02 119.14 38.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.47 138.48 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -148.39 100.28 3.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.749 HD13 ' CD2' ' A' ' 102' ' ' HIS . 0.6 OUTLIER -177.26 177.42 0.45 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 115' ' ' HIS . 18.3 Cg_endo -74.99 74.71 3.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.541 ' HB2' HD21 ' A' ' 111' ' ' LEU . 3.4 t80 -117.64 -43.9 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.803 HD22 ' HB2' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -78.77 -41.8 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' A' ' 112' ' ' PRO . 2.0 p-80 -93.5 40.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.33 -71.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.46 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 37.7 t-105 -75.0 -84.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.576 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.8 tttt 44.34 47.33 7.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -51.78 -46.04 91.9 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 109.603 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.04 -51.98 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 120.946 -2.522 . . . . 0.0 110.998 0.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.541 ' C ' ' CD ' ' A' ' 121' ' ' GLN . 0.0 OUTLIER 60.79 -69.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 120' ' ' PRO . 4.7 t -38.41 146.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.06 174.24 6.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.377 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.587 HD23 ' CG2' ' A' ' 28' ' ' VAL . 1.2 tp -47.05 -45.6 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 27' ' ' ASN . 9.6 mp -58.83 -45.98 88.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.25 -34.26 74.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.617 HD23 HG13 ' A' ' 128' ' ' ILE . 1.8 tt -50.87 -60.26 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.784 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.617 HG13 HD23 ' A' ' 127' ' ' LEU . 3.3 mt -61.79 -35.61 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -52.14 -44.9 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 134' ' ' VAL . 93.3 t -60.95 -38.35 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.747 ' SD ' HD11 ' A' ' 72' ' ' ILE . 2.2 ttm -64.89 -43.19 93.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.939 HD11 HD13 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -59.47 -30.17 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 t -77.72 -41.96 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.53 HG13 ' NE2' ' A' ' 102' ' ' HIS . 79.3 t -69.38 -50.38 52.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.614 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 4.2 m-85 -75.02 -6.77 51.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -92.41 -40.19 5.15 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -55.64 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.58 151.46 39.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.614 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.98 -27.84 9.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.716 HG23 ' HA ' ' A' ' 97' ' ' ILE . 13.0 p -173.9 56.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 142' ' ' PHE . 16.5 p90 -55.89 128.02 33.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' B' ' 208' ' ' THR . 17.7 t -103.04 -177.49 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.937 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.435 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.2 OUTLIER -79.19 154.78 77.26 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.266 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 111.029 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 206' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -50.82 151.21 4.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.598 ' HB3' HG22 ' A' ' 58' ' ' THR . 18.2 Cg_endo -75.01 -81.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.494 1.786 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.722 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.44 -56.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.04 149.06 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.585 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.08 139.31 23.93 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.392 1.733 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.98 169.86 21.69 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.81 -151.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.83 ' OE1' HG13 ' A' ' 22' ' ' VAL . 4.6 tm-20 -39.08 -41.96 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -49.05 77.08 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -70.25 -25.44 63.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 1.076 . . . . 0.0 110.332 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.605 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.3 tp -56.3 -60.08 4.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.2 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -51.85 -25.82 8.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -29.26 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -72.22 -19.8 61.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -107.41 -94.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.468 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 55.93 17.58 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -37.78 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.686 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.5 m-30 -48.2 144.7 3.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -44.0 -52.64 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.378 1.049 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 34.3 m-85 -127.2 68.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.35 -36.97 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -54.45 42.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.01 -35.51 71.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.686 HG21 ' CD2' ' A' ' 15' ' ' TYR . 48.0 m -69.39 -55.71 9.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.436 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.83 HG13 ' OE1' ' A' ' 5' ' ' GLU . 39.2 t -52.04 -43.42 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.223 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.447 ' HA ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -64.96 -30.0 70.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.41 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -42.94 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.3 m -66.52 -45.14 80.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 22' ' ' VAL . 26.5 m -63.75 -46.45 94.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.422 ' N ' HG23 ' A' ' 26' ' ' VAL . 8.9 m-20 -47.22 -46.06 23.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 31' ' ' LEU . 38.6 t -57.12 -69.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.5 pt -53.83 -20.62 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' VAL . 14.4 m -81.72 -19.25 41.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -98.29 -53.64 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.92 -51.63 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt 70.97 10.04 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.66 -21.15 13.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.628 HD13 HG22 ' A' ' 59' ' ' ILE . 1.1 mp -75.89 170.27 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.36 113.84 3.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HA ' HD13 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -75.02 120.1 5.92 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -113.81 159.64 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.23 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -116.42 129.5 56.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.556 ' N ' HD13 ' A' ' 39' ' ' LEU . 51.3 t0 -151.82 162.3 41.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.4 t -128.72 133.3 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.1 t80 -121.36 157.36 30.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 m -84.29 142.28 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 43.9 m-85 -145.72 -67.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -51.99 93.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.229 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' PHE . 36.2 t0 46.6 26.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 92.09 51.55 2.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 t -121.51 120.66 35.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 p -45.46 146.09 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.051 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -147.21 136.85 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -75.53 124.92 28.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -150.09 171.43 16.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 ttm -116.64 158.4 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 5.3 p-10 -148.24 158.52 44.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 76' ' ' LEU . 4.3 mm? -117.0 147.45 42.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 t -161.75 143.01 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.75 -169.51 41.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.374 1.046 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 2.1 p -118.34 99.46 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.628 HG22 HD13 ' A' ' 35' ' ' LEU . 7.4 pt -82.29 144.63 50.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.04 113.6 3.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.95 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 61' ' ' VAL . 1.6 t -100.43 108.98 55.61 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.461 ' CA ' HG23 ' A' ' 67' ' ' THR . 18.5 Cg_endo -74.96 149.22 36.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.822 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.511 ' CE1' ' HG2' ' B' ' 210' ' ' PRO . 0.6 OUTLIER -132.91 24.84 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 66.68 83.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.261 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.15 -22.49 10.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.02 170.12 18.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.461 HG23 ' CA ' ' A' ' 62' ' ' PRO . 6.8 m -152.18 107.8 3.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 2.0 m-85 -89.26 -167.52 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.3 OUTLIER -126.46 112.92 16.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.422 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -109.14 143.59 27.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.982 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.0 153.84 42.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.0 mm -142.24 147.03 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.499 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 1.7 t -153.18 130.72 11.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.7 pt? -163.84 156.23 17.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.4 ' CD1' HG21 ' A' ' 86' ' ' ILE . 62.6 m95 -94.81 169.83 9.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 107.975 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.83 HD11 HD21 ' A' ' 124' ' ' LEU . 1.3 tp -126.7 115.52 19.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.59 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -55.81 -169.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.535 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -145.14 24.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 79' ' ' THR . 2.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.696 ' OD1' HD11 ' A' ' 114' ' ' LEU . 4.4 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.522 ' HB3' HD23 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.97 131.54 14.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -2.16 12.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.4 HG21 ' CD1' ' A' ' 75' ' ' TRP . 22.0 mm -86.02 89.55 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.417 ' HB2' HD12 ' A' ' 109' ' ' ILE . 38.7 m -129.42 105.15 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.27 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 23.3 p90 -136.35 140.9 43.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.982 HG23 ' O ' ' A' ' 71' ' ' PRO . 6.1 p -86.96 147.9 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -116.8 83.82 14.81 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.98 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.431 1.753 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.0 p -109.47 -160.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.451 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.83 -29.78 12.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -81.71 -6.48 59.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.1 mtt -82.49 -175.68 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.462 ' C ' HG23 ' A' ' 141' ' ' VAL . 51.3 m -146.15 99.3 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.463 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -67.2 135.04 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.52 129.7 54.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 30.1 p -98.1 139.09 34.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.406 1.066 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.88 -133.33 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.878 ' O ' HD11 ' A' ' 111' ' ' LEU . 3.4 mmtt -96.81 43.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.797 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.78 ' CD2' HG11 ' A' ' 134' ' ' VAL . 12.0 m80 -160.16 -61.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.061 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 99' ' ' THR . 97.6 t -103.54 137.06 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.8 OUTLIER -89.81 -67.85 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -178.54 54.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -167.44 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.457 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 123.5 -5.88 9.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.52 1.137 . . . . 0.0 111.044 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -76.7 136.0 39.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.417 HD12 ' HB2' ' A' ' 87' ' ' CYS . 17.8 mt -81.39 141.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -137.35 84.27 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.165 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.878 HD11 ' O ' ' A' ' 101' ' ' LYS . 17.3 mt -154.76 142.5 14.04 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.3 Cg_endo -75.07 52.1 2.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.559 1.821 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.676 ' CE1' HD12 ' A' ' 114' ' ' LEU . 9.7 p90 -88.56 -31.82 18.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.696 HD11 ' OD1' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -79.77 -28.32 40.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -96.93 31.49 2.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.586 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.23 -64.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.418 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.2 t-105 -62.92 -80.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.031 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.547 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 5.2 tttt 43.8 41.29 3.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.939 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.2 -46.31 97.88 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.562 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.939 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.02 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.956 0.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.4 tm0? 61.16 -67.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -48.02 152.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.22 176.78 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.83 HD21 HD11 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -48.33 -39.86 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.55 -52.48 65.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.58 -28.91 74.08 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.608 HD13 ' C ' ' A' ' 127' ' ' LEU . 2.8 tm? -62.87 -58.79 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.9 mt -59.57 -23.77 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.98 -43.12 72.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.18 -42.17 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.406 ' SD ' HD11 ' A' ' 109' ' ' ILE . 5.9 mtt -64.22 -37.13 86.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 mt -64.69 -28.5 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.59 -45.05 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.78 HG11 ' CD2' ' A' ' 102' ' ' HIS . 53.4 t -71.8 -50.84 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -70.5 -16.77 62.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.426 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -85.31 -31.89 21.26 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.62 -51.44 5.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 1.0 OUTLIER -106.12 142.27 24.49 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.86 3.66 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.389 1.731 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 138' ' ' GLU . 18.1 Cg_endo -75.02 -29.24 8.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 97' ' ' ILE . 11.1 p -168.87 56.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 36.2 p90 -57.89 123.27 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.0 OUTLIER -81.13 171.08 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.42 125.28 29.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 206' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 pt-20 -50.73 148.47 7.13 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' ASN . 18.4 Cg_endo -74.95 -86.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.42 -54.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 85.98 149.81 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.511 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.06 140.41 25.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.95 175.52 11.12 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.82 155.34 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 110.32 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.99 -46.16 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -59.51 -42.66 92.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -77.03 -21.1 55.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.918 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -65.4 -36.32 83.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HE3' ' NH2' ' A' ' 18' ' ' ARG . 54.4 tttt -65.82 -33.28 75.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -11.44 53.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.841 ' CG ' HD23 ' A' ' 39' ' ' LEU . 10.8 ttm -81.04 -29.1 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.656 HG21 ' CG2' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -90.27 -98.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.558 ' H ' HG23 ' A' ' 12' ' ' VAL . 7.4 t 46.68 25.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 110.074 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 12.6 tttp -154.1 57.65 0.72 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.431 ' CE2' HG12 ' A' ' 12' ' ' VAL . 2.2 m-85 -150.33 146.0 26.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HD3' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -43.2 -45.91 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.378 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' CE2' ' HD3' ' A' ' 16' ' ' LYS . 56.7 m-85 -131.65 76.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.418 ' NH2' ' HE3' ' A' ' 9' ' ' LYS . 18.0 ttp180 -59.85 -39.59 85.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -55.77 18.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.36 -35.24 76.9 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -70.39 -56.84 5.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.745 ' O ' HG22 ' A' ' 26' ' ' VAL . 4.0 t -56.7 -28.82 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -32.5 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.219 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -41.05 44.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.589 HG23 HD11 ' A' ' 55' ' ' LEU . 18.4 m -67.42 -50.86 57.55 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.444 1.09 . . . . 0.0 110.451 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 22' ' ' VAL . 31.7 m -57.0 -41.45 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' HB3' HD21 ' A' ' 125' ' ' LEU . 37.0 m-20 -56.01 -42.12 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.454 HG13 ' CE2' ' A' ' 32' ' ' TYR . 22.4 t -61.21 -65.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' LYS . 35.3 pt -56.5 -23.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -71.96 -27.52 62.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -88.52 -45.47 9.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.454 ' CE2' HG13 ' A' ' 28' ' ' VAL . 15.9 m-85 -87.07 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER 83.46 6.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 -24.52 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.35 139.34 45.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -123.45 116.7 28.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' CG ' HD22 ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.0 128.99 11.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -122.16 162.85 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.841 HD23 ' CG ' ' A' ' 11' ' ' MET . 0.9 OUTLIER -113.74 140.66 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.633 ' N ' HD13 ' A' ' 39' ' ' LEU . 45.1 p30 -143.53 152.27 41.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.7 t -133.64 119.67 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.087 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.1 t80 -129.69 162.17 28.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.43 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 3.4 m -82.75 135.15 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.729 ' CE2' HD12 ' A' ' 52' ' ' LEU . 24.0 m-85 -139.68 -62.08 0.53 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -56.23 92.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 46.3 27.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.88 61.38 1.36 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.39 111.78 9.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 110.054 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.63 135.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -142.98 137.19 29.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.48 128.11 35.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.729 HD12 ' CE2' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -143.7 147.46 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.37 155.6 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.493 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.8 p-10 -152.12 146.62 25.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.589 HD11 HG23 ' A' ' 25' ' ' THR . 0.5 OUTLIER -99.19 142.88 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 t -156.25 135.8 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.86 -176.21 43.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.59 HG21 ' O ' ' B' ' 205' ' ' PRO . 3.0 p -107.48 110.14 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.508 HG23 ' HD2' ' A' ' 60' ' ' PRO . 8.6 mt -85.66 137.28 36.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.508 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.97 111.37 3.31 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.26 115.29 60.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo -74.94 134.77 18.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.36 -174.8 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 48.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.55 -35.8 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -175.33 -175.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.739 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 60.7 m -114.23 104.37 12.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 3.3 m-85 -81.7 -167.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.1 OUTLIER -130.88 118.59 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 109.38 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.402 HD12 ' HD3' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -108.28 141.83 24.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.773 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.02 146.49 32.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.641 HD12 ' SD ' ' A' ' 131' ' ' MET . 14.0 mm -136.43 150.44 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.564 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 42.5 t -154.33 127.81 8.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 108.277 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.9 pt? -159.65 145.25 15.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.538 ' CE3' HD13 ' A' ' 52' ' ' LEU . 32.3 m95 -83.78 -178.98 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 107.969 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.995 HD11 HD21 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -150.64 106.03 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt -76.8 -167.59 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -85.88 -58.89 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.686 ' HG3' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -74.97 124.13 8.41 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -12.47 21.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.812 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.401 HG21 ' CD1' ' A' ' 75' ' ' TRP . 4.2 mp -90.48 98.4 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.3 m -132.08 117.11 17.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 108.31 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' SG ' ' A' ' 73' ' ' CYS . 49.1 p90 -152.33 159.59 43.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.146 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.935 HG12 ' O ' ' A' ' 107' ' ' GLY . 13.3 p -97.7 146.59 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.05 81.67 28.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.515 ' CB ' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -74.96 156.48 43.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.8 p -71.59 -167.11 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -33.51 13.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.959 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.62 -17.92 59.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.0 mtt -63.66 -171.84 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.2 m -145.22 106.25 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.62 131.77 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.06 89.15 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.2 p -65.18 141.86 58.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.81 -148.38 8.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.16 45.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 0.768 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.705 ' CE1' HG13 ' A' ' 134' ' ' VAL . 2.1 m-70 -153.51 -50.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.568 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 104' ' ' ASP . 19.4 t -111.22 166.67 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.644 ' O ' HG22 ' A' ' 99' ' ' THR . 0.6 OUTLIER -100.84 -61.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 177.42 -36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.84 -18.1 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.23 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.935 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 115.6 -5.11 21.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 137.85 45.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.6 mt -68.96 122.93 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.536 ' O ' HD22 ' A' ' 111' ' ' LEU . 20.0 t80 -105.96 35.76 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 1.0 OUTLIER -117.43 121.95 31.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.83 4.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 27.9 m-85 -70.67 -20.12 62.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.7 tp -79.81 -31.42 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.232 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.99 20.31 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -115.88 -75.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 44.7 t-105 -62.59 -78.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 108.048 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.547 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 39.51 39.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.961 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -52.52 -46.22 95.42 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 109.56 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.961 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.99 -45.37 0.46 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.023 -0.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 25.5 tp60 60.53 -66.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 120' ' ' PRO . 8.2 t -40.77 157.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.941 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 126' ' ' GLY . 51.3 m-20 -131.25 167.56 19.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.995 HD21 HD11 ' A' ' 76' ' ' LEU . 4.1 tp -43.35 -39.64 3.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 27' ' ' ASN . 7.8 mp -62.68 -46.47 88.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -70.24 -21.76 77.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.29 -61.02 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 124' ' ' LEU . 4.8 mp -63.78 -38.97 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.12 -46.43 68.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.0 t -65.22 -35.54 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.641 ' SD ' HD12 ' A' ' 72' ' ' ILE . 52.1 ttm -69.95 -34.3 73.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.6 -31.95 54.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.9 t -76.29 -32.86 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.705 HG13 ' CE1' ' A' ' 102' ' ' HIS . 72.6 t -77.19 -39.44 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.2 m-85 -103.81 32.5 3.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -123.49 -39.45 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.13 -50.88 14.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -106.0 155.52 38.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.562 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -75.08 -26.72 10.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.515 HG21 ' CB ' ' A' ' 91' ' ' PRO . 14.9 p -173.01 61.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 16.8 p90 -59.35 129.54 42.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 6.4 t -98.11 178.28 5.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' OG ' ' A' ' 143' ' ' SER . 6.4 ppt_? -64.66 155.5 81.65 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.04 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 205' ' ' PRO . . . . . 0.59 ' O ' HG21 ' A' ' 58' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -49.59 149.17 4.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.45 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.4 Cg_endo -74.97 -85.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.555 1.818 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.738 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.39 -55.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.382 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.62 148.34 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.576 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 137.61 21.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.447 1.762 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 -176.5 2.92 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 212' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -104.55 158.58 16.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 213' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.1 pp20? . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 4' ' ' SER . 3.8 m -71.94 -55.88 6.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -31.22 70.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 12' ' ' VAL . 2.7 tp -56.31 -51.91 66.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -26.47 64.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -13.06 55.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 39' ' ' LEU . 28.0 mtm -91.34 -13.69 32.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -109.82 -100.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.509 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER 53.44 23.4 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -129.3 -45.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.469 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.7 m-85 -37.58 142.32 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.899 ' HB2' HG21 ' A' ' 79' ' ' THR . 0.6 OUTLIER -55.83 -25.33 41.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -140.1 61.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 10.1 ttp-105 -49.18 -47.15 46.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -59.75 -54.08 50.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.21 -42.75 77.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.614 1.196 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 15' ' ' TYR . 85.7 m -64.61 -57.15 9.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.987 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.5 t -54.29 -43.47 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.536 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 12.9 ttt-85 -60.1 -27.96 67.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.3 mt-10 -78.16 -29.05 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.1 m -87.45 -44.9 10.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.987 HG13 ' O ' ' A' ' 22' ' ' VAL . 9.5 m -51.42 -52.8 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.577 ' ND2' ' HA ' ' A' ' 24' ' ' GLU . 5.0 p30 -64.21 -46.82 82.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 24' ' ' GLU . 2.8 t -53.7 -61.68 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 25' ' ' THR . 10.3 pt -59.12 -31.5 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 12.1 m -76.39 -16.14 59.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.19 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.596 HD23 ' CE1' ' A' ' 32' ' ' TYR . 4.5 tp -89.84 -43.17 10.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.231 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.596 ' CE1' HD23 ' A' ' 31' ' ' LEU . 8.9 m-85 -99.37 -56.64 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' ILE . 1.0 OUTLIER 78.81 2.73 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -106.26 -20.75 13.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.52 HD13 ' CG2' ' A' ' 59' ' ' ILE . 1.1 tp -85.67 137.92 32.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -119.43 115.77 33.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 122.91 7.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.2 m -117.49 154.89 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.438 HD13 ' C ' ' A' ' 39' ' ' LEU . 1.4 tm? -106.13 115.1 29.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -107.22 152.92 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 27.7 t -153.51 109.19 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.595 1.184 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.1 t80 -143.31 168.52 19.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.673 HG12 ' N ' ' A' ' 49' ' ' SER . 13.8 m -83.88 141.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.4 m-85 -145.6 -65.15 0.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -52.93 97.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t70 50.11 25.85 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.28 55.09 3.15 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -128.72 121.44 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 0.735 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.673 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -39.76 140.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.622 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 7.4 ttm180 -146.2 135.94 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 1.1 tt0 -97.23 143.34 28.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.063 HD13 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -174.33 146.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.98 134.84 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.598 ' C ' HD22 ' A' ' 55' ' ' LEU . 4.6 t30 -116.82 157.95 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.598 HD22 ' C ' ' A' ' 54' ' ' ASN . 1.2 mm? -114.69 139.38 49.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -146.94 157.15 43.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.79 -165.47 25.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 11.2 p -126.22 133.66 51.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.658 HD12 HG12 ' A' ' 132' ' ' ILE . 39.4 pt -106.42 149.39 38.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.59 3.83 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.437 1.757 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.623 HG13 ' HA2' ' A' ' 136' ' ' GLY . 2.4 t -109.77 109.76 59.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.04 40.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.92 -149.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -21.84 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 66' ' ' ASN . . . 176.23 37.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.417 ' CG ' ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -164.26 135.72 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.4 m -111.04 103.03 11.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.3 m-85 -88.04 -165.24 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.1 OUTLIER -130.67 117.73 19.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -109.87 149.73 40.38 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.394 1.059 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.621 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.06 150.42 37.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.436 HD12 ' SD ' ' A' ' 131' ' ' MET . 20.8 mm -143.03 138.79 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.753 ' O ' HD22 ' A' ' 74' ' ' LEU . 12.1 t -140.35 125.73 18.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.753 HD22 ' O ' ' A' ' 73' ' ' CYS . 4.0 mm? -134.86 125.41 26.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -93.18 84.29 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.542 HD11 HD11 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -70.39 102.78 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.622 HD21 ' CZ ' ' A' ' 50' ' ' ARG . 4.7 mt -67.96 -176.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.1 OUTLIER -74.45 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.899 HG21 ' HB2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.453 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 113.29 3.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.659 ' HA ' HD11 ' A' ' 114' ' ' LEU . 18.1 Cg_endo -75.01 -43.88 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.446 1.761 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.59 104.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 61.4 m -138.51 116.49 11.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 108.381 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 73' ' ' CYS . 13.8 p90 -159.95 173.19 16.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -105.26 154.52 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 9.8 mmtt -118.63 85.23 26.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -75.0 177.74 8.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.437 1.756 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.6 p -97.37 -163.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.91 -37.47 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -11.41 60.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.177 . . . . 0.0 109.95 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.1 mtt -71.14 -173.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.073 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.436 ' HG1' ' C ' ' A' ' 95' ' ' MET . 24.9 m -152.68 103.85 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.77 HD13 ' O ' ' A' ' 105' ' ' ALA . 0.4 OUTLIER -72.5 144.4 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -119.81 100.89 7.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 104' ' ' ASP . 24.0 p -66.1 139.28 58.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.4 -148.3 6.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -89.31 50.08 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 0.802 . . . . 0.0 109.259 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -164.44 -55.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.614 1.196 . . . . 0.0 109.59 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.6 t -112.49 151.31 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.553 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -94.85 -54.77 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.77 ' O ' HD13 ' A' ' 97' ' ' ILE . . . 172.6 -39.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.63 -6.45 44.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.545 ' CA ' HD11 ' A' ' 97' ' ' ILE . . . 82.83 26.1 46.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -106.58 121.92 45.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.1 mt -57.03 129.05 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.653 ' O ' HD22 ' A' ' 111' ' ' LEU . 75.2 t80 -128.7 47.28 2.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.653 HD22 ' O ' ' A' ' 110' ' ' TYR . 1.7 mm? -123.29 160.01 52.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.4 3.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.779 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -101.32 -42.49 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -77.6 -38.48 48.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.76 44.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -125.03 -76.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.47 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 5.0 t90 -66.76 -83.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.567 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.1 tttt 41.19 49.52 3.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.984 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -55.9 -44.68 99.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.984 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.99 -50.64 0.18 OUTLIER 'Cis proline' 0 C--N 1.361 1.215 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.982 -0.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.411 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.8 tp-100 62.8 -65.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 120' ' ' PRO . 2.9 t -47.43 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.9 169.66 15.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.542 HD11 HD11 ' A' ' 76' ' ' LEU . 5.4 mp -40.53 -44.22 2.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.531 HD13 ' OD1' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -52.39 -62.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.15 -37.63 59.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.0 tt -64.36 -58.27 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.424 ' CG2' ' OH ' ' A' ' 32' ' ' TYR . 5.6 mt -61.22 -34.62 61.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -54.72 -46.13 74.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 134' ' ' VAL . 43.0 t -62.54 -47.3 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.436 ' SD ' HD12 ' A' ' 72' ' ' ILE . 18.6 ttm -59.49 -38.82 81.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.658 HG12 HD12 ' A' ' 59' ' ' ILE . 23.0 mt -61.27 -33.52 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.0 t -80.1 -39.17 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 130' ' ' VAL . 88.4 t -69.16 -36.6 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 4.9 m-85 -110.23 33.25 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.623 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -121.45 -42.4 0.46 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.536 1.147 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -69.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 0.716 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -84.96 155.78 60.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.404 1.065 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.21 3.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.558 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.4 Cg_endo -74.97 -28.52 9.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.439 1.758 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 141' ' ' VAL . 7.1 p -170.19 59.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 25.6 p90 -56.06 137.08 51.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.596 1.185 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.1 t -103.28 174.22 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.419 ' N ' ' OG ' ' A' ' 143' ' ' SER . 1.5 ptt85 -62.09 155.98 61.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.953 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -52.25 151.27 7.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.465 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.99 -84.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.723 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 76.14 -55.81 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.408 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.75 151.5 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 210' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.06 139.73 24.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.573 1.828 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.01 163.75 34.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.43 -15.21 18.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.65 -28.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.4 t -68.66 -53.3 23.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -79.81 -25.39 40.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.31 -34.47 77.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.951 ' N ' HD13 ' A' ' 8' ' ' LEU . 7.5 ttmt -73.49 -29.52 62.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -21.6 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.401 ' HB3' HD23 ' A' ' 39' ' ' LEU . 22.7 mtp -67.24 -13.18 61.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.61 HG12 ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -114.4 -90.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.584 1.178 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 45.3 t 67.28 -60.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' VAL . 13.3 tttt -86.52 54.06 3.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.61 ' CD1' HG12 ' A' ' 12' ' ' VAL . 1.2 m-85 -125.49 127.82 47.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -39.91 -61.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -105.2 55.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.9 ttp180 -51.67 -40.4 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -70.24 -57.75 4.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -39.46 63.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.456 HG23 HD21 ' A' ' 76' ' ' LEU . 96.3 m -70.27 -55.24 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.451 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.907 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.6 t -49.68 -38.73 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -39.16 63.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -41.8 91.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.0 m -65.95 -59.43 3.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 22' ' ' VAL . 28.2 m -55.89 -40.89 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' HB3' HD11 ' A' ' 125' ' ' LEU . 7.4 m-20 -54.6 -47.21 73.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 t -55.96 -68.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.4 pt -52.86 -27.49 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 5.3 m -74.91 -30.22 61.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.133 . . . . 0.0 110.382 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tt -85.59 -46.75 10.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 45.1 m-85 -92.14 -67.89 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 1.3 ttpp 87.59 12.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -109.68 -22.6 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.634 HD13 HG22 ' A' ' 59' ' ' ILE . 1.3 tp -75.42 174.49 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -153.75 117.77 2.71 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.624 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.05 129.15 12.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -132.75 162.7 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.794 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -116.52 148.06 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.794 ' N ' HD13 ' A' ' 39' ' ' LEU . 3.7 p30 -140.88 160.23 40.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -133.46 142.88 48.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -159.17 145.33 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.523 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 3.7 m -78.63 140.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 21.9 m-85 -147.82 -55.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -56.95 87.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 17.7 t70 49.49 23.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.16 59.9 1.03 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -139.34 118.33 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 0.816 . . . . 0.0 109.949 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -38.12 141.86 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.44 HH11 HD12 ' A' ' 52' ' ' LEU . 6.5 ttm180 -137.48 140.09 40.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.41 114.36 22.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.936 HD21 HD22 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -133.08 141.46 48.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.77 ' HA ' HD22 ' A' ' 39' ' ' LEU . 9.0 ttp -89.03 162.66 15.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 3.0 p-10 -163.35 149.61 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 37' ' ' PRO . 28.8 mt -113.76 161.67 17.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 t -165.95 145.18 6.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 160.1 -171.38 36.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.407 HG22 ' HB3' ' B' ' 207' ' ' PRO . 10.3 p -112.11 107.47 16.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 0.725 . . . . 0.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.634 HG22 HD13 ' A' ' 35' ' ' LEU . 28.1 pt -85.2 149.48 52.7 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 114.71 4.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 61' ' ' VAL . 2.3 t -109.49 103.89 53.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.477 ' N ' HG23 ' A' ' 67' ' ' THR . 18.3 Cg_endo -74.98 153.64 41.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.38 20.96 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 71.26 75.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.286 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.89 -31.43 3.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -152.22 146.9 25.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 62' ' ' PRO . 87.1 m -125.53 115.22 19.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.1 m-85 -90.18 -168.22 2.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB2' ' HA ' ' B' ' 207' ' ' PRO . 0.4 OUTLIER -120.07 115.23 23.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -113.53 128.47 25.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.472 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.3 Cg_endo -74.95 166.76 28.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.576 HG23 ' N ' ' A' ' 73' ' ' CYS . 0.0 OUTLIER -164.46 174.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.576 ' N ' HG23 ' A' ' 72' ' ' ILE . 11.3 t -173.72 116.46 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 108.31 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 1.8 pt? -135.33 165.25 25.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -104.01 156.26 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 108.041 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.742 HD11 HD21 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -126.48 110.12 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.936 HD22 HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -82.74 -173.5 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.459 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.9 OUTLIER -88.34 -48.04 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.693 ' OD1' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.585 ' HD2' HD13 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 86' ' ' ILE . 18.1 Cg_endo -75.03 -173.7 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 86' ' ' ILE . 6.1 mt 40.08 89.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 13.9 m -116.81 127.46 54.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 6.5 p90 -162.44 160.59 26.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 107' ' ' GLY . 8.3 p -92.36 153.79 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.34 81.01 45.56 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.446 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -75.04 174.7 12.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.523 HG23 ' SD ' ' A' ' 95' ' ' MET . 44.0 p -96.37 -139.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 110.465 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.72 -44.1 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.433 1.083 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -14.61 61.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.643 ' HE3' ' HB2' ' B' ' 207' ' ' PRO . 0.0 OUTLIER -77.22 -173.81 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.068 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 141' ' ' VAL . 4.9 t -152.44 130.06 11.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 98' ' ' LYS . 0.9 OUTLIER -81.37 162.75 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.454 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 3.0 tmtm? -131.18 104.26 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.8 p -78.94 138.55 38.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.85 -145.53 5.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 0.0 OUTLIER -88.99 45.48 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 11.3 m80 -163.31 -45.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.554 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.5 t -110.82 156.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.419 1.074 . . . . 0.0 109.327 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.657 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.7 t0 -103.77 -58.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 165.32 -30.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.61 2.54 50.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.606 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 87.38 0.11 84.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.69 120.26 24.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 23.5 mt -59.74 124.13 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -89.16 -47.35 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -44.08 107.8 0.64 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 59.77 5.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.3 p90 -82.81 -38.35 23.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.517 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 1.5 tt -57.81 -29.76 65.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.55 36.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.64 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -128.33 -48.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 37.4 t-105 -72.84 -81.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 107.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.553 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.5 ttpm? 37.6 40.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.985 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -54.77 -45.3 99.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.563 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.985 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.01 -48.67 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.999 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 25.1 tp60 65.02 -61.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 120' ' ' PRO . 5.1 t -49.98 162.9 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -129.76 162.43 28.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.742 HD21 HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -48.56 -40.49 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 27' ' ' ASN . 11.3 mp -64.72 -46.59 81.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.56 -31.85 77.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.051 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.693 HD12 ' OD1' ' A' ' 83' ' ' ASN . 3.2 tt -57.18 -60.75 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.06 -30.22 38.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -44.28 88.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.12 -45.03 96.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.424 ' SD ' HD11 ' A' ' 72' ' ' ILE . 2.5 ttm -61.96 -34.44 76.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.408 ' CD1' ' OH ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -62.36 -38.13 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.18 -34.98 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.7 t -72.5 -49.4 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.65 -1.67 47.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.66 -25.29 13.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -47.68 11.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.01 151.65 45.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 112.82 3.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -28.27 9.2 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 96' ' ' THR . 7.5 p -170.42 59.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.574 ' CG ' ' O ' ' A' ' 142' ' ' PHE . 27.1 p90 -66.57 114.22 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 6.2 t -81.51 177.97 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 143' ' ' SER . 30.9 ptt180 -93.15 155.74 40.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 151.92 63.24 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 207' ' ' PRO . . . . . 0.643 ' HB2' ' HE3' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.95 -81.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 208' ' ' THR . . . . . 0.751 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 74.37 -57.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.173 . . . . 0.0 110.399 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 209' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 89.7 152.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 210' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 146.23 32.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 211' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 178.43 7.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 160.47 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 p -96.79 -22.68 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -70.67 -28.35 64.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -41.01 -41.76 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -63.59 -45.13 91.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.939 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -73.07 -22.25 60.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.247 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.2 tp -60.99 -62.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HB2' HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -48.26 -24.44 1.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 8' ' ' LEU . 4.3 mttt -83.81 -37.21 22.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mtp -64.28 -10.01 21.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -117.84 -86.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t 47.55 30.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.064 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -129.39 -45.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 2.4 m-85 -38.61 154.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' CB ' HG21 ' A' ' 79' ' ' THR . 0.0 OUTLIER -53.02 -45.87 68.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -131.56 71.85 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.56 -54.03 10.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -55.92 -56.26 22.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.232 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -36.6 62.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -69.77 -58.4 3.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.848 ' O ' HG22 ' A' ' 26' ' ' VAL . 38.6 t -51.04 -34.14 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -71.11 -34.93 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -73.68 -37.25 65.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.476 HG23 HD11 ' A' ' 55' ' ' LEU . 11.9 m -69.39 -55.16 11.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.441 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 22' ' ' VAL . 16.0 m -52.65 -42.32 40.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -54.39 -47.23 72.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.672 HG22 ' HG ' ' A' ' 125' ' ' LEU . 43.6 t -56.53 -67.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 33' ' ' LYS . 41.0 pt -54.34 -24.27 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.9 m -76.77 -19.73 57.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.46 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.621 HD23 ' CE1' ' A' ' 32' ' ' TYR . 1.2 tp -94.62 -37.91 11.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.621 ' CE1' HD23 ' A' ' 31' ' ' LEU . 22.5 m-85 -96.38 -58.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER 82.01 1.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.19 -23.73 12.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.607 HD13 HG12 ' A' ' 59' ' ' ILE . 1.2 tp -82.2 163.6 21.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.6 OUTLIER -151.28 130.07 6.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' HG21 ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.05 125.43 9.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.471 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -111.06 157.26 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.675 HD13 ' H ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -113.0 143.69 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.675 ' H ' HD13 ' A' ' 39' ' ' LEU . 1.2 p30 -141.82 145.84 35.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -125.66 106.66 9.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.948 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 1.9 t80 -126.76 168.36 14.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.1 m -89.74 150.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD2' ' HD2' ' A' ' 50' ' ' ARG . 52.9 m-85 -154.26 -66.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.993 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.7 m-20 -51.51 93.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' PHE . 32.0 t0 44.16 27.46 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.89 53.28 2.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -128.63 123.58 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.793 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p -43.34 136.55 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HD2' ' CD2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -149.01 137.07 20.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.426 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -71.52 132.15 44.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.44 HD12 ' CE2' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -140.24 132.26 27.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.84 168.99 10.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' ND2' HG13 ' A' ' 38' ' ' VAL . 4.3 p-10 -172.02 150.29 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.625 ' HB2' HD11 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -100.41 144.5 29.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 36' ' ' LYS . 9.8 t -151.84 153.07 33.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.45 170.76 13.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.5 p -97.97 113.01 24.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 0.769 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.694 HD13 HD11 ' A' ' 132' ' ' ILE . 63.9 mt -81.07 142.13 51.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.691 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.02 91.24 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.47 114.72 51.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' HA ' ' HG1' ' A' ' 67' ' ' THR . 18.6 Cg_endo -74.87 159.31 41.94 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.77 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.3 -162.59 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -11.45 60.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 66' ' ' ASN . . . 179.47 36.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 4.9 m120 -163.8 -177.06 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.417 ' HG1' ' HA ' ' A' ' 62' ' ' PRO . 41.1 m -157.25 105.15 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.533 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 7.3 m-85 -93.26 -174.29 3.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -124.53 116.98 23.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.191 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.423 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -111.82 129.31 24.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.822 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.04 145.66 31.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.541 HD11 ' CD2' ' A' ' 135' ' ' PHE . 6.9 mt -152.92 143.61 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.8 t -143.22 133.1 24.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 108.271 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.834 ' O ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -143.89 144.33 31.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.425 ' O ' ' CB ' ' A' ' 84' ' ' PRO . 30.1 m95 -86.1 133.34 33.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 107.954 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -99.04 112.32 24.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 80' ' ' TYR . 4.2 mt -66.82 -173.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.566 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 p-10 -77.77 -59.32 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 1.7 t 179.22 39.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.69 ' O ' HD13 ' A' ' 77' ' ' LEU . 3.5 t80 -157.54 149.81 17.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.728 ' HG2' HD21 ' A' ' 114' ' ' LEU . 18.4 Cg_endo -75.0 -20.97 15.93 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.014 -0.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 81' ' ' PRO . 42.2 m-85 -163.11 -41.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -145.4 163.76 30.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.425 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.2 Cg_endo -75.04 114.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -17.72 19.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.607 1.846 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mt -85.91 90.16 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 84' ' ' PRO . 37.4 m -135.38 97.94 3.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -127.81 156.8 41.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 71' ' ' PRO . 8.3 p -84.94 145.31 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 79.3 22.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.48 33.28 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 111.055 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 65.8 p -81.63 -150.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -16.45 12.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.62 5.87 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.06 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.0 mtt -95.63 -169.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 m -150.31 95.73 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.552 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.4 OUTLIER -63.12 139.94 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.601 1.188 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -112.58 123.35 50.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 104' ' ' ASP . 67.0 p -76.36 140.15 41.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -164.49 -155.82 8.59 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.92 -20.94 32.13 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.427 0.722 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.568 ' CE1' HD11 ' A' ' 111' ' ' LEU . 17.8 m-70 -94.67 -38.1 10.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.626 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.462 HG13 ' HA2' ' A' ' 107' ' ' GLY . 50.1 t -119.42 147.97 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.79 ' O ' HG22 ' A' ' 99' ' ' THR . 4.5 t0 -104.63 -54.3 2.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.484 ' O ' HG21 ' A' ' 97' ' ' ILE . . . 179.16 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.52 -7.66 54.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.678 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 83.56 22.76 55.55 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.11 121.7 32.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.9 mt -60.2 130.93 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -89.57 -161.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 102' ' ' HIS . 4.8 mt 68.2 159.97 0.14 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.6 Cg_endo -74.89 -45.53 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 59.94 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.728 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.0 tp -56.83 -33.75 67.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -98.72 23.5 8.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.626 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -122.03 -71.77 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.412 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 47.1 t-105 -68.63 -81.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 41.16 41.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.987 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -52.3 -46.02 94.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.586 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.987 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.95 -49.29 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.047 0.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.2 tm0? 62.77 -62.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.8 t -52.64 161.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 126' ' ' GLY . 67.5 m-20 -134.28 168.74 18.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -40.99 -42.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.672 ' HG ' HG22 ' A' ' 28' ' ' VAL . 6.6 mp -66.87 -48.3 69.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -56.91 -36.52 73.57 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.47 -57.77 11.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 124' ' ' LEU . 2.5 mp -65.86 -15.79 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.414 ' O ' HG23 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -78.7 -40.67 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.23 -47.79 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.423 ' SD ' ' HA ' ' A' ' 128' ' ' ILE . 11.7 ptp -62.86 -35.95 81.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 59' ' ' ILE . 41.9 mt -65.84 -32.19 57.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 129' ' ' GLN . 33.2 t -70.62 -35.69 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.399 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.562 HG11 ' ND1' ' A' ' 102' ' ' HIS . 25.1 t -81.57 -41.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.541 ' CD2' HD11 ' A' ' 72' ' ' ILE . 4.2 m-30 -73.59 -8.12 54.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -97.11 -31.81 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -77.74 -54.78 5.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 0.799 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.41 153.94 43.22 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.34 3.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.7 9.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.449 1.763 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 97' ' ' ILE . 10.1 p -172.06 55.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 34.7 p90 -54.07 130.08 36.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' B' ' 208' ' ' THR . 0.4 OUTLIER -83.67 173.62 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.009 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.415 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -109.42 157.64 36.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.8 pt-20 -51.39 148.89 8.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.99 -89.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.69 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 80.01 -54.5 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 85.8 150.76 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.516 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.05 137.87 22.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.78 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.533 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.05 172.62 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 212' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -93.89 163.12 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 110.237 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' B' ' 212' ' ' GLU . 4.7 pt-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.1 t -53.86 -44.47 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.0 p -54.46 -59.9 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.24 -42.3 73.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -44.8 92.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -39.2 88.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.633 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -55.66 -50.44 70.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -63.73 -25.48 68.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.96 -12.91 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.3 mtm -97.08 15.09 23.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -143.19 -100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.467 ' H ' HG23 ' A' ' 12' ' ' VAL . 3.3 t 70.39 -59.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -44.75 -30.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 2.2 m-85 -55.5 134.56 50.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB2' HG21 ' A' ' 79' ' ' THR . 14.7 tttt -41.78 -51.93 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -126.47 55.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -43.39 -27.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 2.4 t70 -72.58 -58.05 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -37.35 66.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CE2' ' A' ' 15' ' ' TYR . 64.6 m -68.03 -47.71 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.626 ' O ' HG22 ' A' ' 26' ' ' VAL . 2.6 t -57.53 -45.84 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -37.33 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -74.84 -36.24 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.542 HG23 HD21 ' A' ' 55' ' ' LEU . 88.0 m -70.76 -54.56 11.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 22' ' ' VAL . 33.5 m -54.69 -41.31 55.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -54.62 -49.68 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.377 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 29' ' ' ILE . 2.9 t -53.46 -67.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 35' ' ' LEU . 35.1 pt -52.32 -27.95 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.4 m -73.43 -27.47 61.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -84.52 -35.27 23.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.792 ' OH ' HG23 ' A' ' 128' ' ' ILE . 3.1 m-85 -84.88 -60.09 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 86.09 -8.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -113.59 -22.68 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.631 ' O ' HG22 ' A' ' 29' ' ' ILE . 3.9 tp -82.93 131.01 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -115.7 144.16 32.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.562 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.6 Cg_endo -74.89 132.58 15.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.763 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 56' ' ' THR . 0.8 OUTLIER -124.58 151.27 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.607 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -120.13 147.85 44.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.607 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.6 p30 -152.93 141.57 20.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -107.69 110.95 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.539 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 2.3 t80 -113.32 162.51 15.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.534 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 4.8 m -103.17 136.23 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CE1' ' CD2' ' A' ' 42' ' ' TYR . 16.9 m-85 -147.41 -54.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 90.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 52.09 24.32 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.3 35.6 7.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -107.14 128.16 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.996 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -54.36 142.29 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -148.0 156.68 42.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.366 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.33 123.0 29.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.559 HD13 ' C ' ' A' ' 52' ' ' LEU . 3.3 tm? -127.17 128.41 46.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.496 ' HG3' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -90.82 133.88 34.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 5.7 p-10 -144.4 164.16 31.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 37' ' ' PRO . 4.2 mt -122.13 157.88 30.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.528 ' HB ' HG11 ' A' ' 38' ' ' VAL . 1.1 t -156.96 159.09 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 110.365 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 134.89 -179.48 17.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.4 p -100.51 130.24 46.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 110.376 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.469 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 15.4 pt -100.73 147.63 33.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.0 Cg_endo -75.05 94.14 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -95.87 116.02 65.94 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 138.69 23.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -133.17 -179.77 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.403 ' O ' ' NH1' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -68.14 -11.36 59.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.05 -40.01 1.89 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 169.08 -178.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.5 m -91.28 107.88 19.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.379 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.7 m-85 -91.03 -167.65 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -122.78 110.91 16.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.447 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -112.59 127.84 26.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.679 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.0 152.14 40.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.572 1.827 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.446 HG12 HG23 ' A' ' 89' ' ' VAL . 2.4 mt -150.74 158.68 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 53.6 t -139.76 117.24 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.506 ' CD1' ' SG ' ' A' ' 87' ' ' CYS . 3.0 mm? -117.39 144.21 45.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.431 ' CD1' HG22 ' A' ' 86' ' ' ILE . 27.0 m95 -111.66 108.56 18.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 107.989 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.76 HD11 HD21 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -93.95 120.7 34.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.706 HD22 ' O ' ' A' ' 80' ' ' TYR . 0.3 OUTLIER -76.87 -167.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.388 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 4.3 m-20 -83.48 -54.07 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.575 HG21 ' HB2' ' A' ' 16' ' ' LYS . 1.8 t -177.28 58.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.706 ' O ' HD22 ' A' ' 77' ' ' LEU . 0.6 OUTLIER 179.2 150.4 0.47 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.571 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 18.5 Cg_endo -75.0 -45.87 0.42 Allowed 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.022 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 81' ' ' PRO . 61.0 m-85 -162.46 32.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 174.61 165.89 0.35 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.402 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HB3' HD12 ' A' ' 76' ' ' LEU . 18.2 Cg_endo -75.04 113.69 3.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.431 HG22 ' CD1' ' A' ' 75' ' ' TRP . 68.4 mt 49.84 94.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 26.8 m -127.97 119.14 24.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.08 165.44 35.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 107' ' ' GLY . 9.9 p -92.81 149.93 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.44 78.08 27.51 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.96 168.06 25.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.576 1.829 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 18.9 p -82.06 -140.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.07 -41.07 2.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -5.66 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.6 mtt -75.63 -170.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.4 m -151.8 96.07 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.611 HD11 ' CA ' ' A' ' 107' ' ' GLY . 1.3 tt -58.01 151.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -132.75 94.33 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 68.7 p -66.04 147.24 53.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.83 -140.16 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.83 47.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.308 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.434 ' CE1' HG13 ' A' ' 134' ' ' VAL . 11.1 m170 -162.35 -48.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.639 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.8 t -115.0 139.8 39.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.6 t70 -84.92 -67.53 0.79 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 172.47 39.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.05 15.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.801 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 57.78 33.94 69.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.127 . . . . 0.0 111.078 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 141.88 51.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.803 HD11 ' SD ' ' A' ' 131' ' ' MET . 2.8 mt -63.92 134.16 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 111' ' ' LEU . 24.5 t80 -81.12 -55.86 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.423 HD12 ' HE1' ' A' ' 113' ' ' TYR . 4.9 mt -39.78 147.51 0.34 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.3 Cg_endo -75.04 -38.03 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.759 ' OH ' HG21 ' A' ' 134' ' ' VAL . 3.5 m-30 57.33 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER -55.1 -34.75 63.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 29.33 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.638 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -133.07 -67.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.509 ' CD1' ' HB2' ' A' ' 122' ' ' SER . 34.1 t-105 -69.27 -77.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 107.995 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.56 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 39.67 40.63 0.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.153 . . . . 0.0 109.348 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.991 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -52.63 -45.86 96.12 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.991 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.9 -48.37 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.06 -0.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 61.39 -64.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.614 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.9 OUTLIER -54.74 155.27 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 110.037 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 126' ' ' GLY . 27.3 m-20 -133.35 170.72 15.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.76 HD21 HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -46.16 -39.8 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.26 -39.92 95.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -66.43 -52.48 35.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.4 tt -43.07 -54.34 4.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.776 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.792 HG23 ' OH ' ' A' ' 32' ' ' TYR . 1.5 mp -58.5 -36.45 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' GLY . 24.8 tt0 -63.24 -47.08 83.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.666 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.2 t -62.9 -42.17 95.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.803 ' SD ' HD11 ' A' ' 109' ' ' ILE . 4.9 tpp -64.19 -40.6 96.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.5 mt -57.76 -37.98 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.28 -51.59 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.759 HG21 ' OH ' ' A' ' 113' ' ' TYR . 55.8 t -50.33 -51.04 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -95.88 24.92 5.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.29 -9.2 13.46 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -105.47 -53.79 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 0.71 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 16.1 mp0 -101.92 149.84 36.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 138' ' ' GLU . 18.4 Cg_endo -75.01 -27.92 9.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 141' ' ' VAL . 13.1 p -171.22 61.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 21.9 p90 -62.76 131.21 48.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.0 t -94.76 162.92 13.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 143' ' ' SER . 11.7 mtt180 56.81 161.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.22 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 110.953 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 111.042 -0.407 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -52.45 150.67 8.59 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.48 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.94 -87.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.704 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 79.24 -56.22 0.42 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.0 152.37 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.447 ' CD ' HD12 ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.07 140.7 25.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.9 -170.91 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 212' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -100.0 -146.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.3 pp20? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -100.01 6.36 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -51.27 -41.1 60.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -40.17 -44.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.11 -45.01 94.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.2 tp60 -68.42 -34.1 75.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' MET . 1.1 tp -54.5 -51.29 65.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.31 -25.17 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -80.64 -26.13 37.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.36 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.605 ' HB3' HD23 ' A' ' 39' ' ' LEU . 55.0 mtt -67.92 -18.43 64.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.559 HG12 ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.27 -88.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.85 -59.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.82 62.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.747 ' CE2' HG21 ' A' ' 21' ' ' THR . 0.2 OUTLIER -125.35 123.67 39.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.2 OUTLIER -39.85 -52.37 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.46 ' HD2' HG22 ' A' ' 79' ' ' THR . 0.6 OUTLIER -115.74 46.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 22' ' ' VAL . 38.2 ttp180 -43.88 -31.43 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -57.29 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 tp -53.65 -40.13 65.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.747 HG21 ' CE2' ' A' ' 15' ' ' TYR . 99.4 m -64.96 -52.35 56.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.966 ' O ' HG13 ' A' ' 26' ' ' VAL . 13.1 t -57.3 -36.58 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HA ' HG22 ' A' ' 26' ' ' VAL . 3.4 ttt180 -65.34 -29.94 70.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.179 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.589 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -75.95 -29.02 58.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.658 HG23 HD21 ' A' ' 55' ' ' LEU . 88.6 m -85.93 -50.4 7.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.966 HG13 ' O ' ' A' ' 22' ' ' VAL . 18.9 m -46.52 -54.59 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.243 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.589 ' ND2' ' HA ' ' A' ' 24' ' ' GLU . 6.4 p30 -62.05 -45.95 91.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.376 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.727 HG13 ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -53.75 -63.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.596 ' N ' HG12 ' A' ' 28' ' ' VAL . 6.0 pt -58.16 -34.03 48.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 18.4 m -73.58 -16.35 61.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.452 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.621 HD22 ' HG ' ' A' ' 125' ' ' LEU . 4.7 tp -88.1 -44.29 11.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.846 ' CZ ' HG21 ' A' ' 128' ' ' ILE . 4.2 m-85 -87.74 -57.22 3.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER 83.66 -3.09 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.388 1.055 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.39 -24.09 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.943 HD13 HG23 ' A' ' 59' ' ' ILE . 2.7 tp -86.79 140.2 29.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 10.4 ttmt -123.72 143.8 42.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.06 130.09 12.89 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.541 1.811 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 39' ' ' LEU . 2.3 p -127.28 164.29 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -128.32 135.29 49.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.48 158.61 43.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -130.48 146.78 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.066 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 1.7 t80 -150.01 156.56 41.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 m -83.41 139.87 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 42' ' ' TYR . 73.5 m-85 -144.35 -67.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.062 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 98.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t0 47.74 27.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.68 50.17 3.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.6 p -114.89 113.1 23.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -62.88 133.06 54.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.83 ' HD2' HD12 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -144.59 148.87 34.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.69 139.24 51.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.83 HD12 ' HD2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -150.2 129.16 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.476 ' CG ' HG13 ' A' ' 12' ' ' VAL . 3.5 mmm -60.83 158.55 12.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 9.0 t30 -167.99 152.93 6.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.658 HD21 HG23 ' A' ' 25' ' ' THR . 1.4 mt -118.65 155.8 30.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.7 t -158.2 150.12 21.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.3 171.83 16.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.403 HG22 ' HB3' ' B' ' 207' ' ' PRO . 35.5 p -102.64 99.11 9.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.741 . . . . 0.0 110.437 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.943 HG23 HD13 ' A' ' 35' ' ' LEU . 4.2 pt -69.43 149.27 97.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.96 90.1 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.054 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -73.86 114.03 28.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.7 41.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.782 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -128.26 -172.57 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -63.0 -12.41 25.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.08 42.26 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -169.37 -179.31 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 0.806 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.6 m -154.45 107.26 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 4.2 m-85 -97.68 -172.82 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -123.16 115.79 22.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -115.25 127.09 27.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.661 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.5 Cg_endo -75.0 145.68 31.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 73' ' ' CYS . 2.7 mt -152.65 161.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 1.1 m -141.89 125.91 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 108.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.753 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -129.74 132.6 46.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.715 ' HE3' HD22 ' A' ' 52' ' ' LEU . 10.4 m95 -95.11 152.67 18.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.986 HD11 HD11 ' A' ' 124' ' ' LEU . 1.2 mp -140.24 135.9 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.82 HD21 HD11 ' A' ' 52' ' ' LEU . 29.3 mt -94.5 -169.38 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.692 ' O ' HG23 ' A' ' 79' ' ' THR . 8.4 p30 -81.96 -51.39 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 78' ' ' ASP . 7.5 p -160.47 -39.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.615 ' O ' HD13 ' A' ' 77' ' ' LEU . 1.5 m-85 -103.7 168.7 8.29 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.606 ' O ' ' CD2' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.04 -23.22 12.94 Favored 'Cis proline' 0 C--N 1.359 1.089 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.976 0.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER 164.38 72.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 69.19 111.1 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.648 ' HB3' HD11 ' A' ' 114' ' ' LEU . 18.3 Cg_endo -74.98 54.23 3.57 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.413 1.744 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.753 ' O ' HD13 ' A' ' 74' ' ' LEU . 65.1 mt -111.05 85.16 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.667 ' HB2' HD12 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -119.75 125.08 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.528 1.143 . . . . 0.0 108.259 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.68 ' HE1' HG22 ' A' ' 86' ' ' ILE . 2.5 p90 -153.78 148.89 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 107' ' ' GLY . 8.7 p -90.08 151.25 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -123.0 76.39 50.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.605 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.04 168.38 24.93 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.5 1.789 . . . . 0.0 111.038 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.419 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 82.0 p -84.42 -164.03 0.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.44 -16.84 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -97.66 -2.24 41.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.434 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.8 mtt -81.29 -166.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.545 ' C ' HG23 ' A' ' 141' ' ' VAL . 56.6 m -150.13 108.04 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.921 HD11 ' HA2' ' A' ' 107' ' ' GLY . 1.2 tt -76.3 146.35 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -118.24 99.58 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.6 p -72.26 149.85 44.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.32 -138.24 5.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -92.42 47.07 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.654 ' NE2' HG13 ' A' ' 134' ' ' VAL . 12.4 m80 -157.71 -46.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.61 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 104' ' ' ASP . 1.5 t -117.98 177.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.602 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.0 OUTLIER -119.04 -55.04 2.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 168.8 -38.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.64 1.88 52.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.921 ' HA2' HD11 ' A' ' 97' ' ' ILE . . . 96.07 -20.85 48.22 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 128.78 35.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.667 HD12 ' HB2' ' A' ' 87' ' ' CYS . 18.0 mt -57.29 126.16 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -142.53 93.86 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -172.62 161.01 4.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.515 ' N ' HD22 ' A' ' 111' ' ' LEU . 18.1 Cg_endo -75.0 90.74 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.772 ' CE1' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -144.86 -52.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.648 HD11 ' HB3' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -74.26 -26.71 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 38.45 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.561 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.0 -66.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.51 ' CH2' ' CE1' ' A' ' 119' ' ' HIS . 30.6 t-105 -65.21 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.547 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER 43.42 41.05 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.6 -45.99 98.42 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.545 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -75.01 -46.36 0.38 Allowed 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.053 -0.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.5 tp-100 61.94 -67.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 120' ' ' PRO . 6.2 t -41.89 162.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 124' ' ' LEU . 4.8 m-20 -133.52 170.33 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.986 HD11 HD11 ' A' ' 76' ' ' LEU . 2.0 mm? -39.46 -53.02 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.621 ' HG ' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -53.33 -54.49 35.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.48 -41.43 80.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.562 1.164 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.18 -55.75 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.846 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 1.7 mt -62.78 -35.14 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.92 -46.81 88.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.336 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.772 HG11 ' CE1' ' A' ' 113' ' ' TYR . 2.9 t -66.65 -40.44 86.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.527 ' SD ' HD11 ' A' ' 109' ' ' ILE . 5.6 ttm -68.07 -36.38 79.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.539 HD12 HG22 ' A' ' 128' ' ' ILE . 11.0 mt -62.73 -35.2 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 30.8 t -77.39 -33.27 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.654 HG13 ' NE2' ' A' ' 102' ' ' HIS . 38.6 t -74.28 -46.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.03 -4.31 56.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.97 -48.55 2.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -31.23 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -123.88 146.52 51.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 113.9 3.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 18.3 Cg_endo -75.0 -27.74 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.545 HG23 ' C ' ' A' ' 96' ' ' THR . 8.6 p -172.96 57.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.471 ' CG ' ' O ' ' A' ' 142' ' ' PHE . 21.5 p90 -56.38 125.94 24.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -81.16 173.37 12.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.019 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.412 ' N ' ' OG ' ' A' ' 143' ' ' SER . 1.1 ptt85 -120.33 147.99 46.39 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 111.042 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.2 pt-20 -49.14 149.0 3.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' B' ' 208' ' ' THR . 18.2 Cg_endo -75.03 -88.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 79.65 -54.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.444 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.68 150.66 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.562 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.03 134.27 17.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.99 170.59 20.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.808 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 212' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.0 OUTLIER -93.66 158.68 15.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 4' ' ' SER . 8.0 p -94.31 -51.57 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.513 ' N ' HG13 ' A' ' 3' ' ' VAL . 85.8 p -92.62 -60.22 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -38.86 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.238 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.75 -49.42 77.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.045 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -44.04 91.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.356 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -57.75 -50.55 72.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -63.74 -29.71 70.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -76.79 -12.82 60.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.84 ' HB3' HD23 ' A' ' 39' ' ' LEU . 35.7 mtp -94.08 -5.58 47.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.682 HG12 ' CE1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -128.83 -103.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.487 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 84.59 -47.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -110.28 63.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.682 ' CE1' HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -122.45 142.37 50.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HG2' HG21 ' A' ' 79' ' ' THR . 0.3 OUTLIER -39.33 -53.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.444 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 94.2 m-85 -136.56 71.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.743 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.4 mtm180 -42.95 -37.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -71.52 -58.17 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 11.7 tp -52.87 -37.33 60.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.228 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.602 HG21 ' CD2' ' A' ' 15' ' ' TYR . 91.3 m -69.02 -51.36 39.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 18' ' ' ARG . 41.4 t -55.39 -47.95 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HA ' HG22 ' A' ' 26' ' ' VAL . 6.7 ttm180 -59.96 -43.31 95.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.71 ' HB3' HD22 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -63.26 -38.04 89.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.446 HG23 HD11 ' A' ' 55' ' ' LEU . 73.5 m -73.12 -62.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 22' ' ' VAL . 14.5 m -48.04 -44.55 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -55.24 -48.82 73.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 24' ' ' GLU . 16.0 t -56.17 -66.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 43.5 pt -54.31 -21.64 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.1 m -81.67 -19.76 40.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.87 -49.36 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.644 ' CE2' HG21 ' A' ' 128' ' ' ILE . 26.5 m-85 -85.51 -61.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 7.3 ttmt 87.36 -8.3 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.424 1.077 . . . . 0.0 109.354 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.43 -22.88 19.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.377 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.453 HD11 HG22 ' A' ' 72' ' ' ILE . 2.1 tp -88.2 170.19 11.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -159.61 142.9 10.47 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.93 122.12 7.04 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.576 HG11 ' HB ' ' A' ' 56' ' ' THR . 2.2 p -122.91 165.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.914 HD11 ' HB2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -116.74 154.98 29.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.679 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.5 p30 -147.52 142.65 27.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -113.32 83.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -107.54 148.07 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.041 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 49' ' ' SER . 10.2 m -86.65 143.71 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 42.5 m-85 -144.48 -65.06 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.6 m-80 -57.57 98.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 45.63 26.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 88.27 55.44 2.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 t -122.82 109.32 14.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.436 ' N ' HG12 ' A' ' 43' ' ' VAL . 16.1 m -42.57 144.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -146.03 136.45 23.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.914 ' HB2' HD11 ' A' ' 39' ' ' LEU . 3.4 pm0 -81.25 72.76 8.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.228 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.512 HD22 ' CE3' ' A' ' 75' ' ' TRP . 9.4 tt -76.57 133.79 39.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -81.2 107.51 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.51 ' O ' HD22 ' A' ' 55' ' ' LEU . 4.8 p-10 -109.29 167.14 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD22 ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -116.2 152.97 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.576 ' HB ' HG11 ' A' ' 38' ' ' VAL . 10.5 t -139.89 178.53 7.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.73 176.2 15.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.573 1.17 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 54.3 p -121.3 108.56 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.888 HD12 HG12 ' A' ' 132' ' ' ILE . 46.8 pt -74.97 152.09 86.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.591 1.837 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.491 HG13 ' HA2' ' A' ' 136' ' ' GLY . 3.1 t -105.42 110.04 63.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.36 42.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.79 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.445 ' CB ' ' OD1' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -125.31 -147.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -13.56 59.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.439 ' C ' ' ND2' ' A' ' 66' ' ' ASN . . . 179.72 54.21 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.445 ' OD1' ' CB ' ' A' ' 63' ' ' TYR . 0.9 OUTLIER 171.42 174.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.0 m -143.26 108.2 4.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.533 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 1.7 m-85 -87.0 -166.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -128.61 111.35 13.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.439 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -109.39 130.95 22.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 160.89 39.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.524 1.802 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -145.62 -176.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.515 ' N ' HG23 ' A' ' 72' ' ' ILE . 53.1 t -166.97 114.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -110.44 150.52 28.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.512 ' CE3' HD22 ' A' ' 52' ' ' LEU . 81.2 m95 -112.07 68.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 108.052 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.904 HD11 HD21 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -50.73 112.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.11 -171.29 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.571 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 1.6 m-20 -83.42 -58.7 2.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.588 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 9.4 t -170.07 59.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 79' ' ' THR . 55.9 m-85 -159.11 155.65 24.62 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.0 Cg_endo -75.06 -44.69 0.53 Allowed 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.018 -2.492 . . . . 0.0 110.923 0.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.556 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 26.4 m-85 -115.04 -15.0 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.627 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER 152.11 -45.55 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.251 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 113.34 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.583 1.833 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.452 ' HG2' HD12 ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.96 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.403 1.739 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.668 ' O ' HD13 ' A' ' 74' ' ' LEU . 3.6 mt -81.45 146.0 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.52 ' HB3' HD13 ' A' ' 109' ' ' ILE . 37.7 m -110.22 127.06 54.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 108.345 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 2.4 m-85 -139.92 170.56 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.974 HG12 ' O ' ' A' ' 107' ' ' GLY . 9.9 p -134.86 145.32 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -122.02 78.0 41.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.525 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -74.93 164.47 33.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.477 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 82.5 p -84.34 -167.86 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.4 m -88.94 -38.56 14.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -17.02 61.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.6 mtt -70.57 179.22 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' HG23 ' A' ' 141' ' ' VAL . 87.3 m -155.04 99.86 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.628 ' N ' HG23 ' A' ' 141' ' ' VAL . 8.6 mt -45.86 150.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -116.71 74.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.438 HG23 HG22 ' A' ' 97' ' ' ILE . 67.3 p -60.23 139.11 57.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 172.4 -134.45 3.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.454 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -91.04 47.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.626 ' HA ' HD11 ' A' ' 111' ' ' LEU . 4.5 m-70 -165.04 -59.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.671 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.6 t -101.36 161.59 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.7 OUTLIER -105.73 -66.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.364 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 169.88 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.15 -25.39 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.974 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 113.17 0.99 25.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 7.0 ttpt -99.37 131.41 45.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 87' ' ' CYS . 2.7 mp -56.62 133.78 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.68 ' C ' HD12 ' A' ' 111' ' ' LEU . 18.5 t80 -109.99 82.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.68 HD12 ' C ' ' A' ' 110' ' ' TYR . 4.9 mp -157.71 152.97 21.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 47.28 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -46.75 -35.9 6.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -79.17 -43.68 23.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.5 37.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -126.82 -84.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.436 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 25.7 t-105 -69.08 -81.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.531 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 12.1 ttpp 47.34 43.36 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 1.001 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.95 -45.86 99.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.542 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 1.001 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.95 -43.92 0.63 Allowed 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.064 -0.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 10.4 tm0? 57.6 -74.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 120' ' ' PRO . 3.6 t -36.96 145.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 126' ' ' GLY . 16.2 m-20 -127.43 169.6 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.904 HD21 HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -39.61 -46.41 1.79 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.22 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 125' ' ' LEU . 6.8 mp -64.8 -49.74 69.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -59.73 -30.75 69.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.647 HD23 ' N ' ' A' ' 128' ' ' ILE . 2.5 tt -59.93 -58.2 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.647 ' N ' HD23 ' A' ' 127' ' ' LEU . 2.5 mt -58.39 -23.7 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -41.68 71.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.39 -41.76 91.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.455 ' CE ' ' HB3' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -67.64 -38.7 84.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 111.024 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.888 HG12 HD12 ' A' ' 59' ' ' ILE . 43.2 mt -59.99 -31.38 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.2 t -79.88 -42.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.69 -47.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.696 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 5.5 m-85 -90.62 26.08 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.491 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -119.57 -35.51 0.91 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.71 -70.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.98 166.62 13.11 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.25 3.75 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.696 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.99 -28.99 8.7 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.443 1.76 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.628 HG23 ' N ' ' A' ' 97' ' ' ILE . 11.9 p -170.45 60.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -57.28 136.19 56.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.0 t -98.38 171.53 8.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -93.11 156.29 40.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.937 -0.447 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 pt-20 -50.85 151.98 3.95 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.477 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.6 Cg_endo -74.92 -89.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.447 1.762 . . . . 0.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.737 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.88 -56.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.57 150.74 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.533 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 136.71 20.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.94 176.62 9.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 212' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -111.32 168.51 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' B' ' 212' ' ' GLU . 2.0 pp20? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.2 t -108.19 -41.54 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.394 1.059 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -58.89 -20.82 55.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -39.26 -44.67 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -47.43 85.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -71.53 -29.48 64.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.504 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.7 tp -55.24 -43.09 74.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.617 ' HE3' HG11 ' A' ' 22' ' ' VAL . 10.7 ttmt -60.14 -24.82 65.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -26.29 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.672 ' HB3' HD23 ' A' ' 39' ' ' LEU . 67.8 mtt -66.88 -15.99 64.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.735 HG12 ' CG ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.51 -87.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 t 41.92 28.49 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.119 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 12' ' ' VAL . 2.3 ttmt -151.95 -45.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.735 ' CG ' HG12 ' A' ' 12' ' ' VAL . 3.2 m-30 -36.7 132.99 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.167 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.82 ' CB ' HG21 ' A' ' 79' ' ' THR . 0.0 OUTLIER -40.29 -54.01 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -108.12 57.59 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -51.46 -47.2 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.84 -56.17 24.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -56.88 -32.08 65.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.21 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.4 m -73.38 -50.76 20.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.747 ' O ' HG22 ' A' ' 26' ' ' VAL . 43.9 t -60.87 -32.62 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 2.7 ttm180 -76.64 -30.18 56.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -78.79 -43.35 25.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 m -65.82 -45.01 83.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 22' ' ' VAL . 35.6 m -64.26 -41.5 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' LEU . 3.7 m-20 -51.95 -47.0 64.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 24' ' ' GLU . 70.2 t -56.77 -69.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.1 pt -53.82 -20.59 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 7.7 m -84.26 -23.85 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' ASN . 3.8 tp -91.51 -50.45 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -95.74 -56.17 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 76.96 17.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.71 -24.05 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.562 HD13 ' CG2' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -74.41 169.53 17.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.361 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.83 115.48 3.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.64 6.16 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -120.65 164.16 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' ' 11' ' ' MET . 0.5 OUTLIER -115.04 140.64 48.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.5 p30 -127.13 159.06 35.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -141.25 120.88 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.064 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -140.84 149.79 42.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 m -80.36 145.51 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.363 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -149.9 -66.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 47' ' ' GLY . 3.7 m-20 -50.74 97.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t0 43.99 27.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 89.08 51.02 3.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -125.49 128.22 47.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p -40.57 151.92 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.23 149.07 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.24 119.45 35.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.32 136.96 32.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.45 ' SD ' ' CD1' ' A' ' 8' ' ' LEU . 4.6 ttp -88.22 174.23 8.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -171.96 145.87 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -103.37 148.44 25.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 t -157.03 135.26 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.62 -171.84 43.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.3 p -119.44 100.91 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.345 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.636 HD12 HG12 ' A' ' 132' ' ' ILE . 13.7 pt -80.17 147.6 65.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 105.15 2.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.438 1.757 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 t -91.13 113.07 57.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 156.53 42.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -127.34 -149.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -12.03 59.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.22 35.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.414 ' C ' ' HG1' ' A' ' 67' ' ' THR . 3.1 m120 -163.7 -177.53 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.414 ' HG1' ' C ' ' A' ' 66' ' ' ASN . 26.0 m -156.28 104.46 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.434 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.3 m-85 -92.27 -165.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.5 122.1 30.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.584 1.177 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -114.45 135.0 22.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.436 ' HG3' ' HE3' ' A' ' 95' ' ' MET . 18.5 Cg_endo -74.97 146.09 32.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.687 HD12 ' SD ' ' A' ' 131' ' ' MET . 5.1 mm -135.25 151.86 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.405 ' HB2' ' CG ' ' A' ' 90' ' ' LYS . 21.4 t -160.6 106.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.282 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -138.22 164.54 28.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.576 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 12.3 m95 -99.71 160.77 14.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.185 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.044 HD11 HD11 ' A' ' 124' ' ' LEU . 2.0 tp -129.45 98.55 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.96 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.583 ' C ' HG22 ' A' ' 79' ' ' THR . 0.5 OUTLIER -92.5 -41.87 10.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.82 HG21 ' CB ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 165.08 60.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.627 ' CD1' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER 175.95 142.86 0.22 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 110.921 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.627 ' HA ' ' CD1' ' A' ' 80' ' ' TYR . 18.5 Cg_endo -74.95 -36.51 2.57 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.995 -0.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 81' ' ' PRO . 17.2 m-85 -148.88 -44.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.46 ' OD1' HD12 ' A' ' 127' ' ' LEU . 0.8 OUTLIER -145.96 151.42 45.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 113.33 3.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -14.03 21.34 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.649 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 3.0 mm -76.32 105.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.8 m -138.81 114.29 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 108.212 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.649 ' CZ ' HG23 ' A' ' 86' ' ' ILE . 12.3 m-85 -123.93 171.54 9.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.955 HG12 ' O ' ' A' ' 107' ' ' GLY . 11.9 p -115.93 161.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' CG ' ' HB2' ' A' ' 73' ' ' CYS . 5.6 mmmt -125.8 74.33 70.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.529 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.96 174.93 11.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 p -110.01 -160.95 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.132 . . . . 0.0 110.432 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.5 p -96.54 -25.34 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -89.6 -5.03 57.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.956 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.6 mtt -82.6 -174.2 5.06 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.446 ' C ' HG23 ' A' ' 141' ' ' VAL . 95.5 m -156.5 105.63 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -56.85 134.75 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -120.46 102.27 8.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 p -84.21 140.24 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.396 1.06 . . . . 0.0 110.35 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 101' ' ' LYS . . . 175.23 56.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 0.1 OUTLIER 79.75 -50.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -65.08 -36.17 83.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.628 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.19 153.39 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.678 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.5 OUTLIER -91.44 -66.89 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 163.92 -31.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -83.35 -7.51 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.955 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 99.84 15.05 32.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -109.61 134.03 52.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.38 138.16 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.412 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 29.2 t80 -113.61 65.74 0.66 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.9 mt -144.04 142.78 20.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.227 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.29 2.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.404 1.739 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -41.4 -49.46 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 83' ' ' ASN . 4.6 tp -69.33 -39.24 78.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.5 37.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.528 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -130.01 -86.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.496 ' CD1' ' HB2' ' A' ' 122' ' ' SER . 36.4 t-105 -71.64 -79.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 107.986 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.562 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.1 pttt 39.54 39.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.52 -45.62 98.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.62 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.07 -47.53 0.31 Allowed 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.015 0.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.6 tp-100 62.42 -63.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -54.95 158.49 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 126' ' ' GLY . 2.2 p-10 -132.75 174.44 10.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 1.044 HD11 HD11 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -40.16 -42.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.378 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -59.36 -52.34 66.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -64.77 -37.1 93.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.46 HD12 ' OD1' ' A' ' 83' ' ' ASN . 8.6 tt -48.63 -56.36 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.8 mp -69.08 -31.86 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -54.97 -45.88 75.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.2 t -62.13 -47.4 93.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.687 ' SD ' HD12 ' A' ' 72' ' ' ILE . 42.2 ttm -60.06 -41.94 93.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.636 HG12 HD12 ' A' ' 59' ' ' ILE . 11.3 mt -58.24 -36.68 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.72 -40.56 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 130' ' ' VAL . 86.8 t -65.23 -49.91 76.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 140' ' ' PRO . 2.1 m-30 -88.83 19.44 4.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -113.61 -40.41 1.02 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.424 1.077 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -61.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -104.8 161.15 23.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.25 3.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.567 1.825 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.552 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.97 -23.23 14.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.446 HG23 ' C ' ' A' ' 96' ' ' THR . 7.2 p -176.19 63.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 142' ' ' PHE . 2.1 p90 -58.25 139.36 55.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 1.9 t -105.59 176.05 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.457 ' CD ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -83.63 168.78 20.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 144' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -57.37 151.24 39.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.464 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.97 -84.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.726 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.78 -56.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.431 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.98 152.52 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.447 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.93 136.17 20.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 167.81 26.23 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 212' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.3 OUTLIER -93.13 148.31 22.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.7 t -69.49 -45.92 77.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.0 p -56.19 -58.01 9.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -50.62 -45.56 57.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -63.13 -53.13 58.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.07 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.81 -28.13 67.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.2 tp -63.71 -43.39 96.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HD2' ' CZ ' ' A' ' 18' ' ' ARG . 5.3 ttpp -62.02 -31.04 71.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -84.43 -12.02 55.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.35 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.451 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 7.7 mtm -85.78 -10.21 55.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -117.18 -98.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.531 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.8 m 58.26 16.64 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.046 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -123.26 14.68 9.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -110.29 154.31 23.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -59.45 5.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' THR . 5.2 m-85 -108.56 69.49 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' CZ ' ' HD2' ' A' ' 9' ' ' LYS . 50.6 ttp180 -51.58 -43.42 62.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.199 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -58.01 8.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -57.04 -30.22 64.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' TYR . 44.8 m -71.18 -47.84 55.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.368 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.732 ' O ' HG22 ' A' ' 26' ' ' VAL . 37.5 t -69.66 -41.37 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -68.03 -30.46 69.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.496 ' HG2' HD22 ' A' ' 124' ' ' LEU . 26.8 tt0 -78.4 -38.07 42.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.508 HG23 HD21 ' A' ' 55' ' ' LEU . 17.9 m -69.56 -48.85 58.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 22' ' ' VAL . 27.7 m -60.56 -37.81 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.539 ' HB3' HD21 ' A' ' 125' ' ' LEU . 8.7 m-20 -58.18 -42.2 85.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.832 HG21 HD23 ' A' ' 124' ' ' LEU . 21.7 t -60.32 -66.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 35' ' ' LEU . 3.8 pt -55.57 -26.64 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.8 m -68.67 -27.58 66.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tp -89.19 -48.12 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.658 ' CE1' HD11 ' A' ' 59' ' ' ILE . 37.7 m-85 -86.52 -65.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 3.5 ttpp 88.27 9.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -110.46 -22.96 11.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.489 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.6 mp -73.76 124.21 25.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -110.08 119.33 47.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.226 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.04 129.21 12.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.95 154.34 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' HB2' ' CE ' ' A' ' 11' ' ' MET . 0.3 OUTLIER -118.38 131.61 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 41' ' ' SER . 13.9 t0 -154.39 148.68 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 7.8 t -117.25 139.99 50.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.7 t80 -135.99 153.66 51.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 m -77.99 139.41 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 26.5 m-85 -144.25 -64.78 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -54.4 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.362 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' PHE . 19.0 t0 50.23 24.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.73 55.52 1.88 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 t -126.49 116.12 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.047 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.5 p -41.88 140.78 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -147.57 136.16 21.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -76.2 117.5 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.342 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.528 HD12 ' HE2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -133.44 149.94 51.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.407 ' HG2' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -95.12 158.34 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 4.1 p-10 -162.12 148.88 13.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD21 HG23 ' A' ' 25' ' ' THR . 2.0 mt -115.24 152.5 32.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 56' ' ' THR . 0.7 OUTLIER -160.27 117.33 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 110.499 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . -159.18 -179.74 34.22 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 p -110.2 103.49 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.736 . . . . 0.0 110.365 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.058 HD13 HD11 ' A' ' 132' ' ' ILE . 2.4 tt -82.83 142.95 45.7 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 17.9 Cg_endo -75.13 114.6 4.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.57 112.97 65.88 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.56 ' N ' HG23 ' A' ' 67' ' ' THR . 18.4 Cg_endo -74.94 154.22 42.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -133.88 16.21 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 2.9 ttt85 78.12 53.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.67 -31.69 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -139.69 131.52 27.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 62' ' ' PRO . 19.3 m -113.58 101.33 9.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.542 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 6.9 m-85 -76.34 -172.63 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.4 OUTLIER -123.31 114.84 20.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.438 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -113.39 130.95 23.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.626 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.0 Cg_endo -75.09 168.55 24.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.55 160.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.549 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 12.3 t -158.6 118.38 3.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 108.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.595 ' H ' HD23 ' A' ' 74' ' ' LEU . 2.4 pt? -138.46 159.22 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -105.81 158.61 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.642 HD12 ' HG3' ' A' ' 84' ' ' PRO . 4.9 tp -123.76 142.64 50.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.761 HD22 ' O ' ' A' ' 80' ' ' TYR . 0.3 OUTLIER -111.41 177.88 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -69.96 -63.71 1.03 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 t -176.01 39.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.761 ' O ' HD22 ' A' ' 77' ' ' LEU . 43.6 p90 -164.15 155.16 13.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.545 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -75.03 -14.97 22.86 Favored 'Cis proline' 0 C--N 1.361 1.223 0 C-N-CA 120.924 -2.532 . . . . 0.0 110.983 -0.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 164.89 87.63 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 4.6 t-20 77.58 141.77 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.642 ' HG3' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.01 113.0 3.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.819 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.588 ' HA ' HD13 ' A' ' 114' ' ' LEU . 18.3 Cg_endo -74.97 -19.61 17.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.6 mm -69.08 91.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 36.4 m -132.15 102.17 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 5.4 p90 -133.25 155.98 48.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 71' ' ' PRO . 13.6 p -90.7 149.86 3.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.78 79.52 23.72 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -172.59 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.7 p -103.38 -145.65 0.37 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -109.5 -42.81 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.79 -7.99 51.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.536 ' HE1' ' HB2' ' B' ' 207' ' ' PRO . 4.3 mtt -74.33 -175.7 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 m -148.3 94.66 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.568 HD11 ' CA ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -52.09 156.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.7 102.1 7.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 59.1 p -86.19 145.17 27.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.05 -135.34 3.78 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.41 46.1 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.727 ' CD2' HD12 ' A' ' 111' ' ' LEU . 6.8 m170 -161.78 -44.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.661 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -131.41 155.25 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.368 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.2 OUTLIER -98.64 -68.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 175.94 35.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.37 17.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.596 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 69.31 4.64 45.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.571 1.169 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 139.7 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.1 mt -79.49 125.46 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 111' ' ' LEU . 79.9 t80 -85.32 -56.59 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.727 HD12 ' CD2' ' A' ' 102' ' ' HIS . 11.7 mt -39.64 120.77 1.41 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.98 4.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -58.85 -31.15 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.588 HD13 ' HA ' ' A' ' 85' ' ' PRO . 0.7 OUTLIER -72.9 -35.86 67.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 115' ' ' HIS . 15.2 t-80 -91.56 34.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.571 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.68 -66.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 40.0 t-105 -65.31 -78.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.561 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.6 ptmm? 38.81 39.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.24 -45.71 98.21 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.638 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.98 -47.82 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.056 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.2 tp-100 62.64 -62.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.6 t -53.68 167.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.047 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -134.09 -179.43 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.832 HD23 HG21 ' A' ' 28' ' ' VAL . 3.1 tp -59.08 -41.69 88.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 27' ' ' ASN . 9.8 mp -66.48 -56.48 10.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.17 -48.13 85.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 tt -47.16 -54.05 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.485 HG22 HD13 ' A' ' 132' ' ' ILE . 72.9 mt -59.03 -33.17 49.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -58.04 -35.44 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.08 -45.47 83.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 8.8 ttm -59.9 -32.12 70.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 1.058 HD11 HD13 ' A' ' 59' ' ' ILE . 1.4 mp -68.89 -41.43 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.4 t -72.14 -32.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 25.1 t -72.86 -46.32 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.412 ' CG ' ' HG3' ' A' ' 140' ' ' PRO . 3.7 m-30 -76.82 -3.62 39.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -96.42 -29.54 8.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.115 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.88 -41.84 28.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.32 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 146.91 54.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 110.287 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 113.12 3.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.412 ' HG3' ' CG ' ' A' ' 135' ' ' PHE . 18.2 Cg_endo -75.04 -23.31 13.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.56 HG23 ' HA ' ' A' ' 97' ' ' ILE . 13.8 p -174.7 63.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 44.8 p90 -65.28 126.78 29.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.5 t -84.95 164.14 18.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 59.72 114.83 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.097 -0.386 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -64.18 149.59 93.92 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.536 ' HB2' ' HE1' ' A' ' 95' ' ' MET . 18.7 Cg_endo -74.92 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.401 1.738 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.699 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 76.81 -54.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.37 149.93 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.542 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 142.25 27.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.446 1.761 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 -170.39 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.79 152.83 37.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.42 -22.29 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.431 ' HB3' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -88.55 -23.54 23.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -38.77 -31.23 0.06 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -61.79 -55.41 30.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -66.07 -37.13 85.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.717 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -55.96 -57.57 11.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -26.72 2.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -81.79 -32.63 31.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.669 ' CB ' HD13 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -73.47 -11.27 60.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -114.89 -93.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.535 ' H ' HG23 ' A' ' 12' ' ' VAL . 1.4 t 85.68 -57.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.057 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -125.2 69.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 53' ' ' MET . 5.2 t80 -155.82 120.11 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' CA ' ' O ' ' A' ' 78' ' ' ASP . 14.6 tttt 42.77 32.65 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 20' ' ' LEU . 43.9 m-85 55.1 85.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.69 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.3 ptt180 -42.31 -31.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -68.31 -47.03 68.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' TYR . 2.3 mm? -73.42 -31.86 64.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.3 m -74.92 -59.23 2.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 26' ' ' VAL . 78.6 t -51.24 -35.42 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -71.85 -36.07 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.62 -40.1 43.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -64.51 -52.36 58.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 22' ' ' VAL . 29.2 m -58.04 -43.8 85.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.676 ' HB3' HD21 ' A' ' 125' ' ' LEU . 4.3 m-20 -58.18 -41.26 83.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.79 -66.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' LYS . 18.2 pt -55.53 -26.54 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.8 m -70.67 -25.97 63.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 tp -87.96 -48.27 7.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.453 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 12.8 m-85 -93.42 -61.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 83.9 5.79 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.27 -21.5 13.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.65 153.07 29.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -129.87 123.07 20.79 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.37 5.62 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG13 ' CG ' ' A' ' 54' ' ' ASN . 1.5 p -119.02 163.95 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.823 HD23 ' H ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -132.42 179.1 6.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.823 ' H ' HD23 ' A' ' 39' ' ' LEU . 16.4 p-10 -179.08 150.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.21 105.93 12.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -118.73 149.26 41.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 49' ' ' SER . 15.4 m -78.74 140.58 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -146.07 -59.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' GLY . 36.6 m-20 -55.7 94.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 t70 43.03 28.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.16 63.8 1.25 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.533 1.145 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.37 116.87 10.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 109.977 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.418 ' N ' HG12 ' A' ' 43' ' ' VAL . 2.7 p -40.32 138.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.936 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -143.78 135.54 26.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 2.1 mp0 -76.3 108.47 9.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.409 HD22 ' CE3' ' A' ' 75' ' ' TRP . 6.3 tt -118.06 140.09 50.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.578 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . 4.3 mtp -102.01 138.7 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.574 ' CG ' HG13 ' A' ' 38' ' ' VAL . 6.9 p-10 -132.79 162.74 30.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.557 HD22 ' C ' ' A' ' 54' ' ' ASN . 3.1 mm? -119.32 152.96 35.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -160.37 166.49 29.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 110.368 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 134.78 -178.92 18.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.572 1.17 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 p -114.49 120.46 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 0.804 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.72 HG23 ' HD2' ' A' ' 60' ' ' PRO . 79.8 mt -89.13 142.53 30.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.72 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.07 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.39 115.1 56.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.02 42.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -130.57 -148.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 53.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.25 13.61 7.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.467 ' C ' ' HG1' ' A' ' 67' ' ' THR . 0.2 OUTLIER -147.31 175.77 10.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 0.795 . . . . 0.0 109.253 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.467 ' HG1' ' C ' ' A' ' 66' ' ' ASN . 53.8 m -156.49 107.45 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.449 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.531 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 6.3 m-85 -95.46 -174.93 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -118.0 122.12 42.4 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.581 1.176 . . . . 0.0 109.22 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -116.34 127.74 26.53 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.644 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.96 154.68 42.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 71' ' ' PRO . 12.7 mt -157.46 147.62 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.615 ' O ' HD22 ' A' ' 74' ' ' LEU . 7.1 t -128.43 131.84 48.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 73' ' ' CYS . 4.1 mm? -125.59 131.96 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' A' ' 54' ' ' ASN . 19.5 m95 -102.88 97.64 7.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mp -72.9 134.62 44.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.557 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -80.39 -165.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -99.64 -43.28 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.5 OUTLIER 173.18 55.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.533 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER 175.34 142.51 0.21 Allowed Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.536 1.147 . . . . 0.0 111.047 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -75.08 -30.71 5.82 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.952 0.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 10.1 m-85 -166.11 -40.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.7 ' OD1' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -130.12 170.15 11.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.416 ' HD2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.98 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.692 ' HB3' HD13 ' A' ' 114' ' ' LEU . 18.4 Cg_endo -74.95 -31.11 6.57 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.9 mt -82.33 106.93 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.555 ' O ' HD12 ' A' ' 109' ' ' ILE . 17.3 m -140.2 110.71 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.283 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 3.0 p90 -141.38 174.38 10.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.6 p -105.7 149.1 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' CG ' ' HB2' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -117.56 80.22 13.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.29 14.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.483 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 77.1 p -90.75 -135.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.3 -43.35 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -10.73 60.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.6 mtt -69.09 -178.28 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.1 m -145.45 105.06 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.27 144.78 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.224 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.32 89.02 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.3 p -65.52 144.02 57.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 174.46 -138.65 4.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -92.39 39.91 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.77 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.459 ' NE2' HG13 ' A' ' 134' ' ' VAL . 15.7 m170 -151.67 -46.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 104' ' ' ASP . 1.9 t -117.62 168.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 9.9 t0 -108.93 -63.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 177.38 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -87.48 11.1 15.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.632 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 82.63 5.88 89.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -77.93 129.12 34.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.761 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 87' ' ' CYS . 30.6 mt -57.52 130.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -93.33 49.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.0 mt -147.14 156.74 46.73 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.3 Cg_endo -75.06 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.581 1.832 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.453 ' OH ' HG12 ' A' ' 130' ' ' VAL . 1.1 m-85 60.72 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.692 HD13 ' HB3' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -61.81 -30.87 71.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -98.33 26.1 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.613 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.7 -70.96 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.486 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 37.3 t-105 -70.68 -79.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.527 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 17.8 ptmt 43.11 42.7 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.972 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -53.97 -46.01 98.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.599 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.972 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.94 -47.13 0.32 Allowed 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.042 -0.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 59.86 -68.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -48.32 160.3 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.052 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 126' ' ' GLY . 7.3 m-20 -133.57 166.65 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.8 tp -43.11 -31.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.676 HD21 ' HB3' ' A' ' 27' ' ' ASN . 6.9 mp -68.09 -50.22 56.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -65.87 -47.45 74.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.7 HD12 ' OD1' ' A' ' 83' ' ' ASN . 4.3 tt -44.15 -51.34 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 64.9 mt -71.62 -27.74 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 133' ' ' VAL . 13.5 tt0 -67.23 -46.63 73.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.453 HG12 ' OH ' ' A' ' 113' ' ' TYR . 17.2 t -59.9 -45.8 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.43 ' SD ' HD11 ' A' ' 109' ' ' ILE . 19.3 ttm -63.24 -41.22 99.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.441 HD11 HD13 ' A' ' 59' ' ' ILE . 36.9 mt -59.49 -27.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 129' ' ' GLN . 73.3 t -79.44 -32.01 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.459 HG13 ' NE2' ' A' ' 102' ' ' HIS . 92.3 t -81.22 -35.15 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.3 m-85 -101.89 18.83 19.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -114.42 -28.69 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.27 -63.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -97.25 162.09 23.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.469 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 18.4 Cg_endo -75.02 -25.8 11.49 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 141' ' ' VAL . 8.3 p -174.97 60.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -57.58 134.62 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 208' ' ' THR . 0.7 OUTLIER -91.46 170.24 10.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -131.24 98.91 18.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.43 1.753 . . . . 0.0 110.958 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.458 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.8 pt-20 -48.52 148.89 3.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.483 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.95 -89.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.427 1.751 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.712 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 78.78 -53.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.96 149.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.344 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.531 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.03 139.2 23.94 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.446 1.761 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.02 -169.43 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.14 161.2 27.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.528 ' HB3' ' CB ' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.19 -36.69 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -89.38 -43.01 11.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.528 ' CB ' ' HB3' ' A' ' 2' ' ' ALA . 18.1 tt0 -38.31 -45.27 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -51.07 71.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -66.1 -37.92 86.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.826 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.3 tp -58.9 -58.42 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -50.17 -32.59 16.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -81.83 -28.13 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.231 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' LEU . 24.6 mtp -76.6 -0.88 24.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.42 -93.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 27.8 t 50.58 24.22 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -131.62 -47.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.211 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 3.3 m-85 -37.49 144.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' CB ' HG21 ' A' ' 79' ' ' THR . 11.9 tttt -55.06 -47.06 75.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.068 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -113.71 51.21 0.87 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.583 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -46.11 -42.81 14.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.84 -57.69 9.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.13 -34.79 66.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.6 m -71.78 -49.67 36.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' ' 26' ' ' VAL . 42.3 t -59.77 -45.38 94.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' HA ' HG22 ' A' ' 26' ' ' VAL . 1.8 ttm180 -60.26 -35.78 76.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.674 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -73.23 -33.94 65.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.538 HG23 HD21 ' A' ' 55' ' ' LEU . 53.0 m -74.48 -52.02 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 22' ' ' VAL . 34.9 m -59.05 -42.35 86.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.435 ' HB3' HD11 ' A' ' 125' ' ' LEU . 11.1 m-20 -56.05 -45.47 79.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 24' ' ' GLU . 40.8 t -57.71 -67.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.402 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 3.4 pt -52.89 -23.63 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.9 m -78.3 -27.73 47.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.457 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 32' ' ' TYR . 1.5 tp -84.67 -46.68 11.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CE1' HD23 ' A' ' 31' ' ' LEU . 32.1 m-85 -103.34 -62.56 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 2.4 ttpp 87.14 7.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.46 -13.61 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.414 ' CD2' HG11 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -82.15 150.86 27.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.01 112.39 18.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -75.0 120.41 6.05 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -121.16 160.65 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -121.76 121.14 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -126.65 155.35 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 11.9 t -140.81 124.19 16.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.5 t80 -129.78 165.25 22.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.503 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 8.8 m -84.72 139.96 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 23.9 m-85 -142.7 -63.76 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.37 96.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 45.35 27.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.6 52.4 2.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.588 1.18 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.34 114.91 21.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 0.741 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.9 p -45.85 133.68 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.13 140.42 37.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.57 120.44 23.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 44' ' ' PHE . 1.5 mt -134.85 118.96 17.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -74.78 153.69 38.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' ND2' HG13 ' A' ' 38' ' ' VAL . 7.2 p-10 -154.11 156.1 36.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.538 HD21 HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -126.4 144.42 50.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -151.59 137.05 17.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.462 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 174.79 178.57 44.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.555 1.159 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.3 p -110.42 101.64 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 110.336 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.74 HD12 HG12 ' A' ' 132' ' ' ILE . 15.6 pt -76.41 148.68 80.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.5 2.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 t -100.99 112.6 65.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 153.5 41.47 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.424 1.75 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -130.04 16.03 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 80.02 60.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.349 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 131.93 -27.72 3.62 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -139.89 140.65 36.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.3 m -121.6 108.7 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.54 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.6 m-85 -85.95 -166.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.3 OUTLIER -126.01 107.19 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -105.16 127.96 27.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.474 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -74.97 153.79 42.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 111.075 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.7 mt -151.68 137.45 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 t -133.46 133.46 42.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.565 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -151.28 154.3 36.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -106.79 146.26 31.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.495 HD12 ' HB3' ' A' ' 84' ' ' PRO . 3.5 tp -114.4 130.12 56.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.07 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.37 -167.55 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.584 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 1.5 p-10 -80.15 -61.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.442 HG21 ' CB ' ' A' ' 16' ' ' LYS . 1.5 t -175.48 51.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.608 ' CD1' ' HA ' ' A' ' 81' ' ' PRO . 41.6 t80 -166.28 144.15 4.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.608 ' HA ' ' CD1' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -74.99 -27.6 8.21 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.034 -2.486 . . . . 0.0 110.973 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 172.19 36.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 165.72 161.0 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.495 ' HB3' HD12 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.9 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.79 16.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.423 1.749 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.9 mm -95.62 104.0 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.549 ' O ' HG22 ' A' ' 109' ' ' ILE . 53.5 m -143.03 115.35 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 108.281 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.43 ' CB ' ' HA ' ' A' ' 108' ' ' LYS . 9.9 p90 -158.25 147.33 19.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 107' ' ' GLY . 7.6 p -68.16 140.92 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 4.4 ttmt -118.01 79.7 14.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -74.95 -178.29 4.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.537 1.809 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.0 p -97.04 -140.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.9 -37.29 3.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.051 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -77.04 -0.8 25.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.0 mtt -78.42 -167.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.3 m -153.78 83.86 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.493 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -54.72 143.32 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -124.08 115.37 21.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.214 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 104' ' ' ASP . 4.8 p -79.24 148.04 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.37 -149.38 7.3 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -91.94 38.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 0.811 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.604 ' CE1' HG13 ' A' ' 134' ' ' VAL . 5.4 m-70 -144.33 -49.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.505 HG22 ' CZ ' ' A' ' 135' ' ' PHE . 26.2 t -114.15 163.58 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.643 ' O ' HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -95.1 -59.81 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.072 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 170.35 -35.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.63 5.95 25.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.526 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 83.97 11.3 79.26 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -74.98 119.04 18.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 135' ' ' PHE . 0.4 OUTLIER -64.67 125.9 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.61 122.14 17.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.869 ' CD1' HG11 ' A' ' 134' ' ' VAL . 0.2 OUTLIER -165.94 150.24 7.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 42.25 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.57 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.3 p90 -108.05 -41.74 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.066 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.57 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 4.7 tt -54.34 -51.74 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -92.81 42.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.665 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.27 -76.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 38.2 t-105 -57.93 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 107.996 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.577 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 37.58 39.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.991 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -52.45 -45.71 95.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.666 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.991 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.95 -47.09 0.32 Allowed 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.987 -0.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 7.2 tp-100 62.78 -64.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 120' ' ' PRO . 8.6 t -41.71 155.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -128.52 167.76 16.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.426 HD23 HG21 ' A' ' 28' ' ' VAL . 5.3 tp -43.89 -36.97 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 27' ' ' ASN . 7.5 mp -61.25 -59.28 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.31 -36.78 77.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.52 -63.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.469 ' HA ' ' CG ' ' A' ' 131' ' ' MET . 66.6 mt -58.76 -17.0 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -80.62 -41.37 24.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -49.99 81.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 128' ' ' ILE . 9.8 ptp -64.06 -33.77 76.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 59' ' ' ILE . 8.3 mt -64.45 -28.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.71 -36.57 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.869 HG11 ' CD1' ' A' ' 111' ' ' LEU . 70.5 t -75.61 -49.77 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 4.6 m-85 -87.81 17.52 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -109.95 -30.14 3.55 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.64 -64.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.46 158.28 43.39 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.072 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.08 3.71 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.576 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.5 Cg_endo -74.99 -28.57 9.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.568 1.825 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 97' ' ' ILE . 6.9 p -171.33 60.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.482 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 13.9 p90 -60.2 125.34 23.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' B' ' 208' ' ' THR . 1.2 t -83.44 173.03 11.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.4 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -95.52 167.0 13.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.557 1.819 . . . . 0.0 110.972 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.825 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -62.96 148.75 91.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.474 ' CB ' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.02 -83.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.704 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.91 -54.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.467 1.104 . . . . 0.0 110.351 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.74 150.67 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.54 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 137.8 22.35 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.07 -170.93 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 212' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.3 OUTLIER -98.31 -145.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 p -108.33 -6.97 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -76.15 -11.98 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.7 ' HA ' HD23 ' A' ' 8' ' ' LEU . 1.1 pt-20 -35.68 -36.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -62.02 -57.94 9.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.16 . . . . 0.0 110.043 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.5 OUTLIER -72.32 -27.1 62.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.188 . . . . 0.0 110.281 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.845 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -62.14 -30.46 71.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.64 -33.72 66.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -85.47 -9.82 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 8' ' ' LEU . 26.4 mtm -84.42 -30.79 25.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.664 HG23 ' H ' ' A' ' 13' ' ' SER . 2.1 m -86.32 -101.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.157 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.664 ' H ' HG23 ' A' ' 12' ' ' VAL . 1.3 p 52.92 22.42 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.41 25.88 7.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.019 ' CD2' HG21 ' A' ' 21' ' ' THR . 17.1 m-85 -120.76 148.28 44.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' CB ' HG21 ' A' ' 79' ' ' THR . 1.3 tptt -42.89 -42.97 3.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 4.9 m-85 -135.99 81.4 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -54.25 -42.57 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -55.4 35.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.43 -36.61 84.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 1.019 HG21 ' CD2' ' A' ' 15' ' ' TYR . 70.2 m -64.09 -48.43 76.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.942 ' O ' HG22 ' A' ' 26' ' ' VAL . 2.8 t -67.22 -39.21 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 13.1 ttt85 -64.15 -32.57 74.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' HB3' HD22 ' A' ' 124' ' ' LEU . 7.5 mm-40 -76.78 -39.24 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.4 m -69.75 -48.14 60.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.436 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.942 HG22 ' O ' ' A' ' 22' ' ' VAL . 25.5 m -63.93 -37.13 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -59.48 -41.18 89.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 t -59.15 -68.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' LYS . 46.6 pt -53.63 -27.2 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.2 m -72.25 -26.03 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.385 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD13 HD23 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -86.53 -47.0 9.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.463 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 42.1 m-85 -95.09 -63.69 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 16.0 ttmt 85.25 12.95 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.79 -23.92 11.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -79.59 142.48 35.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -119.02 119.03 32.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 129.38 12.23 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.17 144.32 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -98.96 127.45 44.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.538 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -117.56 156.89 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.1 t -147.44 118.25 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -138.09 155.49 48.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 m -81.88 149.73 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -154.3 -64.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -55.25 93.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 48.31 26.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.22 41.16 5.6 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.5 1.125 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 t -112.8 124.95 53.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 0.793 . . . . 0.0 109.992 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.6 p -42.42 145.46 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -138.0 137.31 37.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.9 100.33 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.51 135.13 54.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -100.12 142.64 31.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -139.11 156.06 47.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.7 154.04 37.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.364 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 5.7 t -166.6 135.75 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.461 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.25 -162.68 25.66 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 p -120.23 99.8 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 0.803 . . . . 0.0 110.338 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.597 HG23 ' HD2' ' A' ' 60' ' ' PRO . 39.9 mt -77.47 140.76 64.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.06 112.29 3.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.54 112.04 65.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo -75.02 156.31 42.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 110.953 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 16.66 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.597 1.186 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.1 62.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.19 -30.72 3.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.33 130.37 26.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 69.4 m -113.72 106.28 14.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.4 m-85 -86.82 -166.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.2 OUTLIER -131.27 124.61 30.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -113.52 141.73 26.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.03 145.87 31.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.425 HG13 HD12 ' A' ' 59' ' ' ILE . 7.4 mm -141.1 151.67 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 88' ' ' PHE . 10.6 t -159.71 137.25 9.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.343 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.4 pt? -159.6 165.25 33.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.477 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 29.5 m95 -108.91 146.91 33.0 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 tp -112.61 112.14 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.55 -164.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -86.33 -61.79 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.51 HG21 ' CB ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 176.21 44.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.393 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.531 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -153.52 140.4 12.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.58 ' HG2' HD11 ' A' ' 114' ' ' LEU . 18.2 Cg_endo -75.04 -15.49 22.29 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.947 0.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 8.0 m-85 -170.34 -40.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.5 155.78 60.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -4.61 15.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.559 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 4.5 mm -87.46 112.7 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.401 ' O ' HD12 ' A' ' 109' ' ' ILE . 58.1 m -147.96 117.04 6.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 108.341 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CZ ' HG23 ' A' ' 86' ' ' ILE . 9.8 m-85 -126.92 -174.58 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.049 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.951 HG12 ' O ' ' A' ' 107' ' ' GLY . 11.5 p -130.51 156.22 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 44.9 mmtt -122.54 77.14 46.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.564 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.93 162.05 37.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.473 HG23 ' HE1' ' A' ' 95' ' ' MET . 70.8 p -89.85 -172.18 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -23.66 22.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.54 -17.77 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.474 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.7 mtt -64.06 169.78 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 92.7 m -139.06 86.54 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.561 ' HA ' HG23 ' A' ' 141' ' ' VAL . 1.8 mt -42.8 146.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -120.61 99.08 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.828 HG22 ' O ' ' A' ' 104' ' ' ASP . 20.4 p -64.59 139.17 58.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.09 -148.06 4.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.21 -7.86 52.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.548 ' CE1' HG21 ' A' ' 134' ' ' VAL . 3.0 m-70 -105.57 -65.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.384 1.052 . . . . 0.0 109.594 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 t -78.65 162.62 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.828 ' O ' HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -108.95 -65.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 169.85 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -21.59 61.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.951 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 105.73 6.14 38.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.571 1.169 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.85 124.86 48.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 87' ' ' CYS . 5.8 mt -67.24 149.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -112.07 -33.71 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.498 ' HG ' ' CE1' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -44.09 122.51 4.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 115' ' ' HIS . 18.1 Cg_endo -75.05 58.52 4.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -44.15 -25.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.58 HD11 ' HG2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -79.74 -44.28 21.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER -97.0 39.79 1.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.605 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.09 -75.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 110.275 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.474 ' CH2' ' CE1' ' A' ' 119' ' ' HIS . 26.9 t-105 -74.29 -80.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.01 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.548 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER 44.03 41.91 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.968 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.1 -45.79 98.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.565 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.968 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.04 -47.82 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.998 0.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 0.9 OUTLIER 60.47 -68.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -49.84 161.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 127' ' ' LEU . 2.0 m-20 -134.13 172.53 12.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 24' ' ' GLU . 13.5 tp -44.12 -43.68 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 31' ' ' LEU . 9.0 mp -66.28 -46.68 76.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.45 -27.87 72.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.095 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.601 ' C ' HD23 ' A' ' 127' ' ' LEU . 5.2 tt -62.08 -60.38 3.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.472 ' N ' HD23 ' A' ' 127' ' ' LEU . 4.2 mt -59.22 -27.92 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -40.66 90.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.0 t -60.21 -48.13 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.0 ttm -61.46 -36.7 81.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 59' ' ' ILE . 12.2 mt -62.89 -30.3 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.4 t -72.59 -37.65 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 102' ' ' HIS . 20.0 t -78.38 -43.92 26.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.447 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 5.4 m-85 -87.85 17.06 5.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.0 -38.25 1.06 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -65.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.93 160.49 29.04 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.447 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.2 Cg_endo -75.03 -25.63 11.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.561 HG23 ' HA ' ' A' ' 97' ' ' ILE . 7.5 p -174.44 58.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 142' ' ' PHE . 24.7 p90 -57.58 124.99 20.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 5.1 t -91.37 178.16 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.949 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.452 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.4 OUTLIER -89.59 152.71 47.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 111.071 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.7 pt-20 -58.85 152.48 48.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.474 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -75.07 -84.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.73 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.19 -55.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.443 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.86 148.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.564 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 135.4 19.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 168.28 25.18 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.443 1.759 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 212' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -86.32 155.4 20.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 t -106.69 -36.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -84.45 -14.36 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.004 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' SER . 6.2 pt-20 -37.43 -33.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.33 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER -65.34 -56.01 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -64.95 -21.93 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.687 ' O ' HG22 ' A' ' 12' ' ' VAL . 3.5 tp -61.04 -58.26 9.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -28.06 46.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 -20.65 29.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 10.2 mtp -81.64 -29.28 33.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -86.52 -98.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.611 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER 51.96 21.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -118.04 -41.61 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.238 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 3.3 m-85 -52.69 145.73 11.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 3.2 tttp -49.09 -56.76 8.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.421 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 m-85 -112.54 67.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 10.4 ttp-105 -48.89 -46.19 42.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 3.9 p-10 -55.61 -50.49 70.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.625 HD23 ' OH ' ' A' ' 80' ' ' TYR . 8.7 mp -62.45 -35.05 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 25' ' ' THR . 19.7 m -66.13 -55.85 14.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.403 1.064 . . . . 0.0 110.419 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.953 ' O ' HG22 ' A' ' 26' ' ' VAL . 13.8 t -52.27 -45.94 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -42.95 96.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -30.15 64.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 21' ' ' THR . 29.4 m -74.85 -52.54 11.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.953 HG22 ' O ' ' A' ' 22' ' ' VAL . 16.3 m -62.97 -35.19 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -59.24 -47.69 84.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 t -55.37 -67.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.7 pt -53.28 -27.84 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.1 m -72.32 -20.22 61.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tp -91.25 -47.88 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 25.1 m-85 -90.27 -60.24 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 4.1 ttpp 85.98 5.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -111.04 -23.31 11.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.65 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.7 tp -75.84 131.12 39.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -112.98 124.57 31.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.922 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.9 125.54 9.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.495 HG13 ' ND2' ' A' ' 54' ' ' ASN . 1.0 OUTLIER -116.95 157.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -112.64 140.66 47.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.614 ' N ' HD13 ' A' ' 39' ' ' LEU . 2.5 p30 -141.1 158.71 43.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.07 133.12 27.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -149.82 152.23 34.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.469 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 16.3 m -81.91 146.71 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 20.7 m-85 -150.06 -63.77 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 47' ' ' GLY . 6.8 t30 -50.66 94.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' PHE . 14.4 t70 44.67 27.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.71 50.45 2.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -124.93 124.61 42.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.83 146.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.45 139.8 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.79 102.31 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.735 HD21 ' O ' ' A' ' 76' ' ' LEU . 5.2 tt -116.3 129.49 56.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.511 ' HG2' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.6 141.41 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.495 ' ND2' HG13 ' A' ' 38' ' ' VAL . 5.6 p-10 -135.63 165.49 25.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 37' ' ' PRO . 77.7 mt -120.59 158.22 27.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 t -170.53 126.95 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . -174.62 -176.71 43.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.614 1.196 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 24.8 p -111.03 99.34 8.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 0.721 . . . . 0.0 110.465 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.92 HD12 HG12 ' A' ' 132' ' ' ILE . 32.1 pt -74.0 142.97 80.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 17.9 Cg_endo -75.15 107.94 2.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -94.37 123.66 57.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.484 ' CA ' HG23 ' A' ' 67' ' ' THR . 18.2 Cg_endo -75.06 150.16 37.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 66' ' ' ASN . 2.0 t80 -122.19 -148.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -95.24 7.21 46.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.245 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . 169.94 46.49 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 4.3 p30 159.46 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 0.721 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.484 HG23 ' CA ' ' A' ' 62' ' ' PRO . 5.4 m -135.43 120.54 18.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.2 m-85 -89.35 -168.24 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.7 OUTLIER -127.43 108.32 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.468 HD12 ' HD3' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -107.58 128.65 25.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.47 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -75.06 164.12 33.87 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 73' ' ' CYS . 0.0 OUTLIER -163.15 167.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.224 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.513 ' N ' HG23 ' A' ' 72' ' ' ILE . 6.4 t -161.76 145.79 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -163.99 156.56 17.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.722 ' CD1' HG21 ' A' ' 86' ' ' ILE . 13.7 m95 -100.78 154.18 18.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.735 ' O ' HD21 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -114.51 151.8 32.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.755 HD12 ' C ' ' A' ' 83' ' ' ASN . 0.8 OUTLIER -95.63 -170.77 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.33 20.01 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 79' ' ' THR . 52.0 m -136.82 14.86 3.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.625 ' OH ' HD23 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -41.41 162.65 0.12 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.4 Cg_endo -74.96 131.12 23.14 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.061 -0.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.453 ' HB3' HD13 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -170.93 -56.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 110.937 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.755 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER 61.46 135.06 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.518 ' N ' HD12 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.99 150.77 38.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.411 1.743 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.437 ' HA ' HD13 ' A' ' 114' ' ' LEU . 18.1 Cg_endo -75.06 56.08 4.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.722 HG21 ' CD1' ' A' ' 75' ' ' TRP . 14.3 mm -129.79 86.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.7 m -130.29 101.54 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 108.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 8.3 p90 -135.88 163.0 31.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.824 HG12 ' O ' ' A' ' 107' ' ' GLY . 3.3 p -90.17 163.18 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' N ' HG22 ' A' ' 89' ' ' VAL . 6.9 mmtt -125.27 74.43 67.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.96 156.32 43.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.5 p -83.03 -155.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.2 p -100.33 -39.5 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -9.97 59.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.1 mtt -69.82 -175.37 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.487 ' C ' HG23 ' A' ' 141' ' ' VAL . 88.1 m -156.76 108.23 2.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.485 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.639 HD11 ' HA2' ' A' ' 107' ' ' GLY . 1.1 tt -76.57 136.03 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.37 120.85 43.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 104' ' ' ASP . 21.7 p -73.12 140.05 46.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.348 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.68 -156.81 9.87 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 2.8 mtmt -88.21 49.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 12.0 m80 -165.2 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.0 t -126.87 137.37 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.698 ' O ' HG22 ' A' ' 99' ' ' THR . 2.1 t0 -81.55 -66.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 166.27 40.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -134.19 -34.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.824 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 118.63 -6.15 14.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.16 134.07 34.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 0.798 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.6 mt -75.55 130.43 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -86.11 -49.02 8.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 2.1 mm? -40.82 113.75 1.05 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.261 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 56.66 4.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 38.2 m-85 -58.77 -29.84 67.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 85' ' ' PRO . 6.0 tt -73.07 -39.84 65.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -93.56 32.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -123.09 -73.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.442 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.3 t-105 -62.53 -80.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.564 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 14.0 tttp 45.87 43.18 9.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.987 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.51 -45.64 98.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.584 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.987 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 -45.6 0.44 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.997 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.0 tm0? 59.99 -70.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.591 ' N ' ' O ' ' A' ' 120' ' ' PRO . 3.4 t -40.17 159.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -125.36 175.2 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.606 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -55.58 -47.52 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.356 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.416 HD12 ' H ' ' A' ' 125' ' ' LEU . 7.0 mp -55.88 -44.39 78.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.17 -34.94 87.67 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.2 tt -54.36 -59.46 4.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.794 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.1 mp -63.59 -22.54 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.93 -42.43 76.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.2 -45.63 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.26 -40.15 95.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.92 HG12 HD12 ' A' ' 59' ' ' ILE . 32.0 mt -59.19 -31.79 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.4 t -78.14 -47.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.74 -47.89 89.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -90.03 26.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.65 -5.66 10.95 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.47 1.106 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.73 -61.57 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -101.05 157.86 32.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -26.99 10.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.564 HG23 ' CA ' ' A' ' 97' ' ' ILE . 13.4 p -171.65 62.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.577 1.173 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 10.5 p90 -58.73 133.68 56.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.8 t -96.43 175.07 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.432 ' N ' ' OG ' ' A' ' 143' ' ' SER . 3.4 mmt180 -81.88 160.45 63.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 pt-20 -52.05 150.98 7.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.596 1.185 . . . . 0.0 110.362 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.47 ' CB ' ' HG3' ' A' ' 71' ' ' PRO . 18.2 Cg_endo -74.98 -85.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.413 1.744 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.731 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.91 -55.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.24 149.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 138.63 23.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.94 177.3 8.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.443 1.76 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 212' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -98.47 158.48 15.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.8 pt-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -105.6 -43.73 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER -81.62 -12.66 58.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -44.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.45 -48.03 83.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -71.12 -32.21 68.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.753 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -54.39 -38.12 65.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -27.78 69.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -84.26 -19.0 34.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.904 ' HB3' HD23 ' A' ' 39' ' ' LEU . 63.5 mtt -76.12 0.58 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.483 HG23 ' H ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -134.28 -92.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.483 ' H ' HG23 ' A' ' 12' ' ' VAL . 23.1 t 38.45 30.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' VAL . 9.1 mttp -152.46 -45.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.641 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.6 m-30 -37.27 146.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -45.79 -44.43 14.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 9.8 m-85 -132.84 76.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -52.07 -40.39 61.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.28 -57.98 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 17' ' ' TYR . 10.9 mp -53.89 -37.49 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.641 HG21 ' CD2' ' A' ' 15' ' ' TYR . 65.4 m -68.09 -52.7 32.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.656 ' O ' HG13 ' A' ' 26' ' ' VAL . 17.7 t -61.31 -46.69 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HA ' HG22 ' A' ' 26' ' ' VAL . 1.2 tpt180 -60.31 -31.89 70.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -77.53 -43.32 32.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -67.26 -44.53 79.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.452 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.656 HG13 ' O ' ' A' ' 22' ' ' VAL . 19.6 m -66.8 -40.73 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.801 ' HB3' HD11 ' A' ' 125' ' ' LEU . 10.9 m-20 -55.43 -45.22 76.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 24' ' ' GLU . 55.4 t -57.61 -68.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.438 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 26.2 pt -53.41 -21.01 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.3 m -79.96 -30.88 39.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.627 HD23 ' CZ ' ' A' ' 32' ' ' TYR . 2.4 tp -81.71 -52.23 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CZ ' HD23 ' A' ' 31' ' ' LEU . 51.0 m-85 -99.9 -58.48 1.91 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' CA ' ' O ' ' A' ' 29' ' ' ILE . 4.0 ttpp 81.39 20.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 -23.82 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.591 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 3.0 mm? -79.26 178.75 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -159.68 119.39 1.68 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.58 11.61 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.44 156.76 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 11' ' ' MET . 0.4 OUTLIER -105.01 122.19 45.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -124.27 155.48 38.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.426 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 6.4 t -139.67 121.16 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.4 t80 -152.38 156.53 39.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.584 HG12 ' N ' ' A' ' 49' ' ' SER . 12.0 m -80.95 141.61 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.5 m-85 -143.74 -58.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -57.16 88.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PHE . 12.1 t70 50.23 23.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.72 57.78 1.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.405 ' C ' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -131.31 108.83 9.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.584 ' N ' HG12 ' A' ' 43' ' ' VAL . 39.2 m -39.02 132.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.562 ' CZ ' HD11 ' A' ' 77' ' ' LEU . 2.1 ttm-85 -132.01 136.16 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.695 ' CG ' HD11 ' A' ' 39' ' ' LEU . 2.6 tt0 -106.48 130.33 54.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.248 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.828 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -165.39 154.59 12.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.577 ' SD ' HD13 ' A' ' 8' ' ' LEU . 37.5 ttp -83.12 128.36 34.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 55' ' ' LEU . 6.7 t30 -109.56 154.42 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.179 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 35' ' ' LEU . 4.3 mm? -104.32 136.37 44.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.55 137.39 22.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.401 1.063 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 164.46 -167.8 38.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.571 1.169 . . . . 0.0 111.024 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 1.5 p -131.28 106.75 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 110.43 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.657 HD12 HG12 ' A' ' 132' ' ' ILE . 19.3 pt -83.74 148.28 54.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.96 113.05 3.7 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.401 1.737 . . . . 0.0 111.064 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.607 ' C ' HG23 ' A' ' 67' ' ' THR . 2.3 t -106.52 107.43 60.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.66 ' N ' HG23 ' A' ' 67' ' ' THR . 18.6 Cg_endo -74.93 157.03 43.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.758 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.455 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -135.42 15.11 3.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 3.4 ttt180 81.45 59.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.68 -27.55 3.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -143.59 136.77 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' N ' ' A' ' 62' ' ' PRO . 92.4 m -122.13 109.05 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.7 m-85 -85.14 -167.93 2.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.92 117.94 25.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -112.07 139.68 22.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.933 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -74.96 148.15 35.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.393 1.733 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.539 HD12 ' SD ' ' A' ' 131' ' ' MET . 27.2 mm -133.18 137.27 53.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 3.6 t -131.86 118.33 19.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.265 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.76 HD11 ' SG ' ' A' ' 87' ' ' CYS . 1.1 mm? -131.18 124.71 31.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.826 ' CE3' HD11 ' A' ' 52' ' ' LEU . 54.0 m95 -91.11 84.67 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 124' ' ' LEU . 1.5 tp -61.56 94.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.564 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 2.2 mm? -68.25 -170.98 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -102.81 -29.7 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER 175.37 62.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.373 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.638 ' CD2' ' HA ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -170.13 150.72 3.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.638 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -74.99 -50.2 0.2 OUTLIER 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.029 -2.488 . . . . 0.0 110.969 -0.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.547 ' CD2' ' HE2' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -117.75 -10.29 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.599 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER 153.38 -46.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.02 112.69 3.62 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.663 ' HG2' HD12 ' A' ' 74' ' ' LEU . 18.1 Cg_endo -75.07 -173.52 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.551 ' O ' HD13 ' A' ' 74' ' ' LEU . 7.2 mt -67.79 114.96 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.985 ' SG ' HD21 ' A' ' 127' ' ' LEU . 74.4 m -102.78 112.29 25.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.597 ' CZ ' ' SG ' ' A' ' 73' ' ' CYS . 3.6 p90 -159.51 142.17 13.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 71' ' ' PRO . 7.5 p -83.77 143.38 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -117.23 84.1 16.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 109.322 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.93 177.2 8.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.404 HG23 ' SD ' ' A' ' 95' ' ' MET . 31.8 p -91.26 -159.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.374 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.0 m -99.86 -30.77 11.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.47 4.35 24.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.476 ' HE3' ' N ' ' B' ' 208' ' ' THR . 0.0 OUTLIER -98.16 -168.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.69 ' C ' HG23 ' A' ' 141' ' ' VAL . 93.7 m -152.77 112.47 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.471 ' N ' HG23 ' A' ' 141' ' ' VAL . 2.5 tt -81.51 149.59 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.42 113.2 25.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.5 p -99.92 139.39 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 110.409 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.96 -126.74 1.11 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -93.32 25.46 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.722 ' HA ' HD21 ' A' ' 111' ' ' LEU . 3.9 m170 -135.7 -63.85 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.586 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.596 HG12 ' H ' ' A' ' 104' ' ' ASP . 2.6 t -105.16 174.32 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.596 ' H ' HG12 ' A' ' 103' ' ' VAL . 1.3 t70 -114.6 -54.88 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 172.15 -41.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.84 -5.01 57.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.61 -13.64 61.0 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.585 1.178 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -60.39 131.31 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 25.7 mt -75.2 153.33 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.549 ' C ' HD22 ' A' ' 111' ' ' LEU . 8.5 t80 -144.54 67.94 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.722 HD21 ' HA ' ' A' ' 102' ' ' HIS . 4.4 mm? -125.94 152.08 72.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 53.9 3.48 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 114' ' ' LEU . 4.9 p90 -108.88 -36.92 5.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 113' ' ' TYR . 0.6 OUTLIER -67.35 -39.06 85.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.98 34.51 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.551 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.48 -78.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.234 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 119' ' ' HIS . 4.0 t90 -49.5 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.562 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 6.2 ttmt 39.63 44.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.969 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -55.14 -45.34 99.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.598 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.969 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.12 -44.36 0.57 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.962 -2.516 . . . . 0.0 110.993 0.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 21.4 tp60 58.9 -68.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 120' ' ' PRO . 7.7 t -38.95 157.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -132.07 176.8 8.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.379 1.049 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -52.77 -41.64 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.801 HD11 ' HB3' ' A' ' 27' ' ' ASN . 9.3 mp -59.46 -36.7 76.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -70.36 -56.32 7.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.438 1.086 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.985 HD21 ' SG ' ' A' ' 87' ' ' CYS . 4.3 tt -41.27 -56.3 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.3 mp -57.97 -39.73 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.9 tt0 -60.22 -44.92 94.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.6 t -62.56 -35.23 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.539 ' SD ' HD12 ' A' ' 72' ' ' ILE . 49.3 ttm -73.85 -42.26 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.657 HG12 HD12 ' A' ' 59' ' ' ILE . 32.1 mt -59.58 -26.85 35.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 129' ' ' GLN . 53.7 t -78.65 -48.7 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.35 -41.19 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.533 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 7.2 m-85 -92.09 17.22 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.73 -16.15 7.07 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.428 1.08 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -101.8 -64.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.4 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 0.2 OUTLIER -91.86 156.85 42.23 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.822 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.533 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.97 -27.53 9.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.69 HG23 ' C ' ' A' ' 96' ' ' THR . 6.3 p -171.39 59.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 142' ' ' PHE . 19.2 p90 -58.79 127.34 31.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 1.2 t -89.68 175.58 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 143' ' ' SER . 13.6 mmt85 -122.28 159.81 50.63 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.448 1.762 . . . . 0.0 110.996 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -46.31 151.12 1.01 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.97 -80.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.534 1.807 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 73.95 -57.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.435 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.09 151.64 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.582 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.95 142.4 27.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.02 170.86 19.48 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.551 1.816 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.27 172.57 8.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.6 p -55.59 -42.56 69.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.7 OUTLIER -63.02 -60.09 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.007 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.576 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 49.9 mm-40 -42.72 -45.55 4.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -58.92 -40.4 84.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -76.68 -37.77 55.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.744 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -57.9 -50.64 72.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 18' ' ' ARG . 1.3 ttpt -60.78 -33.36 72.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -81.98 -13.06 57.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.419 1.074 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' GLN . 16.1 mtm -91.68 9.54 31.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -141.64 -99.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.548 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 69.97 -59.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.918 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -46.32 -26.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.662 ' CD2' HG21 ' A' ' 21' ' ' THR . 1.7 m-85 -48.03 125.56 9.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.39 1.056 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -39.93 -40.67 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 64.3 m-85 -131.31 66.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 4.4 ttp180 -51.39 -54.81 22.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -56.03 -58.23 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.358 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -51.89 -38.98 58.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.662 HG21 ' CD2' ' A' ' 15' ' ' TYR . 98.9 m -68.7 -59.15 3.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.434 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.834 ' O ' HG22 ' A' ' 26' ' ' VAL . 25.3 t -53.9 -41.62 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 35.1 ttp180 -65.81 -32.5 74.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -43.25 31.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.505 HG23 HD21 ' A' ' 55' ' ' LEU . 7.2 m -64.55 -48.81 73.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.834 HG22 ' O ' ' A' ' 22' ' ' VAL . 36.0 m -62.87 -37.52 79.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 10.3 m-20 -55.41 -45.41 76.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.2 t -58.14 -66.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.537 HD11 ' OE2' ' A' ' 5' ' ' GLU . 25.2 pt -55.17 -26.21 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.5 m -75.27 -20.06 59.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -93.64 -48.06 6.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -96.74 -57.09 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' CA ' ' O ' ' A' ' 29' ' ' ILE . 2.0 ttpt 78.84 20.41 0.78 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -110.07 -23.54 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.222 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.562 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 2.9 mm? -75.96 179.83 5.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.94 119.49 2.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HB2' HD22 ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.11 122.42 7.14 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.501 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -124.88 164.15 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.225 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.846 HD13 ' H ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -112.73 155.25 24.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.846 ' H ' HD13 ' A' ' 39' ' ' LEU . 2.9 p30 -148.48 145.08 27.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -121.86 119.08 30.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -133.62 150.97 51.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.3 m -89.37 147.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 48.0 m-85 -150.34 -63.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -52.4 95.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 45.03 27.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 89.75 52.06 2.72 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -125.34 121.19 33.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.9 p -39.08 153.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' TYR . 1.1 ttm180 -147.91 139.05 23.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.13 105.05 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.62 133.37 47.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.679 ' HA ' HD22 ' A' ' 39' ' ' LEU . 2.1 ppp? -91.52 174.9 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 6.8 p-10 -168.48 160.02 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD21 HG23 ' A' ' 25' ' ' THR . 4.3 mt -114.17 153.45 29.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 t -164.46 141.73 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 172.78 -165.61 38.04 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -126.41 105.96 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.562 ' CG2' ' CD2' ' A' ' 35' ' ' LEU . 38.7 pt -88.35 149.38 44.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.93 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 111.058 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 61' ' ' VAL . 2.2 t -105.31 106.51 56.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.09 36.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -120.49 18.25 12.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.15 . . . . 0.0 111.056 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER 84.09 2.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.237 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.36 -45.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -125.46 141.56 51.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.233 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 m -110.51 103.39 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.49 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.8 m-85 -86.96 -165.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -132.98 118.24 18.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.336 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -110.15 136.04 20.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 18.5 Cg_endo -75.0 150.66 38.5 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.546 1.814 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mm -138.48 152.87 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 90' ' ' LYS . 22.5 t -163.11 109.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.8 pt? -132.52 165.63 23.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.48 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 48.7 m95 -98.76 154.6 17.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.563 HD22 ' SD ' ' A' ' 53' ' ' MET . 1.9 tp -125.85 110.24 13.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.486 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 8.4 mt -55.99 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -143.36 31.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.8 m -129.1 -83.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.661 ' CD2' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 60.51 150.24 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 111.059 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.661 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 153.96 99.45 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.073 -2.47 . . . . 0.0 110.971 -0.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER 166.73 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 127' ' ' LEU . 2.4 t-20 64.72 133.66 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 112.83 3.65 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.812 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.694 ' O ' HD13 ' A' ' 86' ' ' ILE . 18.1 Cg_endo -75.04 50.88 2.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.694 HD13 ' O ' ' A' ' 85' ' ' PRO . 17.0 mm -144.96 107.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -129.18 128.03 42.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 108.271 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.664 ' CE2' ' CG2' ' A' ' 86' ' ' ILE . 30.4 m-85 -137.69 169.46 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.968 HG12 ' O ' ' A' ' 107' ' ' GLY . 8.0 p -117.03 167.09 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 71' ' ' PRO . 12.8 mmtm -126.58 72.11 73.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.877 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.01 161.69 38.31 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.451 1.764 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.8 p -103.85 -173.48 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -83.08 -37.86 23.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -6.87 54.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.3 mtt -80.82 -173.95 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.8 m -153.0 104.8 2.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.758 HD11 ' HA2' ' A' ' 107' ' ' GLY . 1.3 tt -70.09 140.07 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.452 ' O ' ' CG ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -120.42 97.02 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 79.2 p -60.01 150.43 29.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 101' ' ' LYS . . . 92.96 169.04 39.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.55 1.156 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 5.8 mtpp 75.84 -49.46 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 0.808 . . . . 0.0 109.242 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.474 ' ND1' HG23 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -172.8 34.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.604 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -155.35 162.97 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.7 OUTLIER -120.44 -67.24 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 171.19 38.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.24 16.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.968 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 63.74 16.81 59.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.48 147.64 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.604 HD13 ' SD ' ' A' ' 131' ' ' MET . 5.6 mt -82.72 139.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.75 -153.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.415 ' HB2' ' NE2' ' A' ' 102' ' ' HIS . 4.5 mm? 65.99 163.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 113' ' ' TYR . 18.0 Cg_endo -75.09 4.99 4.29 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.786 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 112' ' ' PRO . 1.9 t80 -32.19 -47.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.437 HD23 ' SG ' ' A' ' 87' ' ' CYS . 0.9 OUTLIER -74.86 -50.05 18.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 115' ' ' HIS . 15.9 t60 -93.11 47.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.62 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 112' ' ' PRO . 1.3 tt0 -124.08 -71.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 119' ' ' HIS . 3.8 t90 -65.55 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 108.02 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 38.5 47.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 1.01 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -55.99 -44.58 99.76 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.545 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 1.01 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.0 -51.54 0.16 OUTLIER 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.019 0.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 27.8 tp60 63.38 -64.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.0 OUTLIER -52.61 164.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -134.35 171.56 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -42.88 -57.83 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.35 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 mp -47.19 -61.16 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.212 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.1 -40.2 65.89 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 83' ' ' ASN . 9.2 tt -57.13 -48.47 78.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.4 mm -59.39 -34.97 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -60.71 -46.92 88.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.37 -41.32 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.604 ' SD ' HD13 ' A' ' 109' ' ' ILE . 9.3 tpp -65.46 -36.91 85.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.502 ' CG1' HD12 ' A' ' 59' ' ' ILE . 4.8 mt -60.66 -35.24 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 23.8 t -78.15 -38.11 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.66 -31.92 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 140' ' ' PRO . 2.1 m-30 -111.16 32.87 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -130.84 -47.93 0.13 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -54.78 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -109.21 157.72 36.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.21 3.74 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.433 1.754 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 18.5 Cg_endo -74.9 -28.46 9.34 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.435 1.755 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' A' ' 97' ' ' ILE . 13.8 p -170.19 61.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 32.8 p90 -59.08 129.64 43.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 5.2 t -97.26 177.96 5.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.449 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -62.53 152.31 81.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.962 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 pt-20 -52.66 148.66 12.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.491 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.97 -85.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.723 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.37 -55.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.72 149.23 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . 18.5 Cg_endo -74.91 137.97 22.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 167.38 27.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 212' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.0 OUTLIER -85.03 152.56 23.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.7 pt-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -101.24 7.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.367 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -50.76 -58.94 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.31 -46.22 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -49.18 68.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' MET . 3.0 tt0 -61.22 -25.07 66.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -67.61 -48.28 67.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HG3' HG21 ' A' ' 22' ' ' VAL . 5.3 ttmt -69.63 -32.66 71.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -12.76 55.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.747 ' CG ' HD23 ' A' ' 39' ' ' LEU . 8.9 ttm -78.7 -12.27 60.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -123.08 -84.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.576 1.173 . . . . 0.0 109.279 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.56 29.6 11.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -143.75 -47.38 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.547 ' HD2' HG21 ' A' ' 21' ' ' THR . 5.4 m-30 -46.75 135.72 8.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.0 OUTLIER -44.26 -57.09 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -94.69 63.9 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -55.88 -29.15 59.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -84.33 -56.93 3.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 1.8 tp -55.47 -30.61 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.547 HG21 ' HD2' ' A' ' 15' ' ' TYR . 42.2 m -69.84 -56.49 6.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.962 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.5 t -61.27 -42.46 93.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.66 -20.01 64.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.677 ' HB3' HD22 ' A' ' 124' ' ' LEU . 7.8 mt-10 -76.64 -33.69 58.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.299 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.5 m -83.41 -47.54 11.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.962 HG13 ' O ' ' A' ' 22' ' ' VAL . 11.6 m -47.24 -53.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.676 ' OD1' HD21 ' A' ' 125' ' ' LEU . 4.3 p30 -61.58 -44.71 96.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.399 1.062 . . . . 0.0 109.213 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.646 HG13 ' CE2' ' A' ' 32' ' ' TYR . 1.8 t -57.56 -65.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.511 ' N ' HG12 ' A' ' 28' ' ' VAL . 13.5 pt -55.49 -29.01 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.395 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -70.41 -23.36 62.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD23 ' CE1' ' A' ' 32' ' ' TYR . 2.3 tp -88.34 -49.74 6.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.746 ' CZ ' HG21 ' A' ' 128' ' ' ILE . 3.9 m-85 -87.3 -61.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ILE . 5.2 ttpm? 81.73 4.44 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.29 -24.01 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.61 98.76 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 119.52 76.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.506 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -74.98 119.62 5.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -119.78 160.48 20.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.846 HD13 ' N ' ' A' ' 40' ' ' ASP . 2.9 tm? -114.23 143.79 44.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.846 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.5 p30 -132.15 144.09 50.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.2 t -130.08 131.54 45.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.2 t80 -148.16 142.12 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.657 HG12 ' N ' ' A' ' 49' ' ' SER . 19.8 m -77.34 144.75 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.192 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 39.3 m-85 -146.97 -62.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 47' ' ' GLY . 34.0 m-20 -58.05 98.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 47.06 25.93 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 86.6 55.51 2.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' SER . 8.6 t -126.35 113.68 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.657 ' N ' HG12 ' A' ' 43' ' ' VAL . 39.3 m -37.54 144.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.05 137.26 42.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.23 119.59 23.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.48 124.66 15.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.552 ' HA ' HD22 ' A' ' 39' ' ' LEU . 17.6 ptm -96.16 138.59 33.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -129.27 171.77 12.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 37' ' ' PRO . 3.8 mt -128.96 146.39 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.7 t -162.36 131.59 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.45 -173.02 44.24 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.412 HG22 ' HB3' ' B' ' 207' ' ' PRO . 7.6 p -106.33 108.3 19.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.395 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.489 HG22 HG22 ' A' ' 70' ' ' ILE . 0.5 OUTLIER -88.61 145.82 36.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.357 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.05 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.65 111.17 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo -74.98 134.09 17.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.559 1.82 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -128.49 -171.02 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.94 49.03 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.7 -38.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 178.78 -175.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 0.793 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 6.5 m -103.57 109.26 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.581 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.7 m-85 -86.66 -167.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -131.18 116.92 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.489 HG22 HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -112.33 138.89 22.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.849 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.1 Cg_endo -75.06 150.13 37.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' THR . 10.5 mm -138.17 150.98 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.245 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 88' ' ' PHE . 25.8 t -155.39 113.12 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 108.301 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 55' ' ' LEU . 2.5 pt? -141.42 160.92 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -106.47 144.21 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 124' ' ' LEU . 4.7 tp -116.2 116.97 28.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 80' ' ' TYR . 2.4 mp -82.93 -176.44 6.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.483 ' HA ' ' CD2' ' A' ' 15' ' ' TYR . 3.2 m-20 -71.56 -62.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.229 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.475 HG21 ' HB3' ' A' ' 16' ' ' LYS . 2.3 t -177.4 36.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 7.3 p90 -149.13 149.09 28.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -75.09 -54.18 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.087 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.926 0.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 18.4 p90 -117.86 -32.79 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.438 ' CB ' ' CD ' ' A' ' 84' ' ' PRO . 1.2 m-20 -166.42 174.69 2.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.568 ' HG3' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.0 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 86' ' ' ILE . 18.5 Cg_endo -74.96 -66.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 85' ' ' PRO . 6.4 mt -31.95 108.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.409 ' HB2' HD12 ' A' ' 109' ' ' ILE . 6.9 p -141.0 134.88 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 108.26 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.537 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 16.7 p90 -172.66 175.14 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 71' ' ' PRO . 2.2 p -126.24 148.49 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 86.43 18.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.49 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -75.03 157.98 42.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.4 p -74.93 176.43 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.349 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.81 -34.07 39.84 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -10.55 59.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.5 mtt -81.72 -169.8 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 97' ' ' ILE . 2.4 m -119.23 -144.29 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.408 ' H ' HG22 ' A' ' 96' ' ' THR . 0.2 OUTLIER 174.17 130.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 122.41 41.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 104' ' ' ASP . 41.7 p -96.56 138.74 33.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.68 -144.13 6.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.99 50.36 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 0.713 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.576 ' CE1' HG13 ' A' ' 134' ' ' VAL . 4.0 m-70 -161.88 -50.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.555 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 104' ' ' ASP . 3.8 t -118.94 167.27 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.589 ' O ' HG22 ' A' ' 99' ' ' THR . 1.9 t70 -104.79 -55.55 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.419 1.075 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 171.35 -34.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -92.72 -0.77 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 100.68 -5.51 56.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -68.98 129.45 39.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.656 HD11 ' SD ' ' A' ' 131' ' ' MET . 88.5 mt -68.59 132.94 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -145.85 101.72 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.756 HD21 ' HB2' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -177.34 173.21 0.73 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.305 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 83.17 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.756 ' HB2' HD21 ' A' ' 111' ' ' LEU . 16.0 t80 -126.67 -42.61 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 115' ' ' HIS . 0.3 OUTLIER -75.61 -42.88 50.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.415 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 41.4 t60 -96.68 39.04 1.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.594 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.97 -75.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 118' ' ' LYS . 54.4 t-105 -63.21 -79.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.558 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.6 tttp 37.22 43.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.973 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -53.38 -45.61 98.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.602 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.973 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.0 -49.73 0.22 Allowed 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.954 -0.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.445 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 30.4 tp60 63.55 -64.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 120' ' ' PRO . 16.1 t -39.87 139.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.29 177.87 6.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -44.9 -55.72 5.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.676 HD21 ' OD1' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -46.84 -61.68 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.8 88.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 4.4 tt -41.44 -61.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.746 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 3.0 mp -66.89 -35.13 73.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -56.21 -44.65 79.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 134' ' ' VAL . 37.3 t -67.24 -39.57 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.656 ' SD ' HD11 ' A' ' 109' ' ' ILE . 16.8 tpp -68.75 -41.16 79.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 111.053 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.468 HD12 HG22 ' A' ' 128' ' ' ILE . 29.3 mt -61.4 -31.72 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.1 t -79.82 -50.55 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 130' ' ' VAL . 78.6 t -56.6 -50.96 71.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.446 ' CE1' ' SD ' ' A' ' 131' ' ' MET . 8.1 m-85 -87.94 22.22 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -118.12 -39.41 0.75 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -64.89 -65.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -103.07 164.3 15.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.401 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.4 Cg_endo -74.85 -26.93 10.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 141' ' ' VAL . 14.0 p -171.66 63.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 142' ' ' PHE . 23.8 p90 -61.9 132.35 52.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.81 169.58 11.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -93.59 127.5 45.84 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.418 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -52.49 151.26 7.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.1 Cg_endo -75.04 -81.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.578 1.83 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 73.88 -55.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.445 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.35 149.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.581 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.95 135.41 19.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.797 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.95 171.58 18.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 212' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -90.5 162.01 15.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.244 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.78 -20.7 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -84.01 -13.41 53.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.02 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 3.1 tm-20 -38.48 -32.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 4' ' ' SER . 9.0 t -62.17 -59.22 5.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.65 -26.66 68.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.086 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.66 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -54.33 -61.32 2.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -24.16 4.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.7 -29.23 30.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -76.84 -16.26 59.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -110.17 -95.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.523 ' H ' HG23 ' A' ' 12' ' ' VAL . 57.4 p 56.75 16.83 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -33.78 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.858 ' CD2' HG21 ' A' ' 21' ' ' THR . 4.4 m-85 -50.16 129.0 20.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -34.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' THR . 17.7 m-85 -135.13 63.34 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 9.8 ttp-105 -48.34 -47.39 37.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -56.64 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -28.17 67.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.858 HG21 ' CD2' ' A' ' 15' ' ' TYR . 53.9 m -73.19 -59.14 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.74 ' O ' HG22 ' A' ' 26' ' ' VAL . 25.5 t -59.44 -34.47 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -66.32 -39.56 89.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -34.49 63.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.711 HG23 HD21 ' A' ' 55' ' ' LEU . 2.8 m -68.02 -52.83 31.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 22' ' ' VAL . 27.4 m -62.18 -39.05 82.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' HB3' HD21 ' A' ' 125' ' ' LEU . 7.0 m-20 -53.85 -42.23 68.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.96 -66.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.405 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 20.9 pt -55.21 -23.36 13.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -72.54 -27.17 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.592 HD23 ' CD1' ' A' ' 32' ' ' TYR . 1.3 tt -88.08 -48.15 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.592 ' CD1' HD23 ' A' ' 31' ' ' LEU . 26.6 m-85 -90.55 -64.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 85.46 15.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -109.67 -23.77 11.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.98 174.01 10.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -153.12 121.44 3.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.96 121.86 6.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.562 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -116.36 158.38 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.569 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -110.17 133.82 52.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.569 ' N ' HD13 ' A' ' 39' ' ' LEU . 42.4 p30 -134.75 153.93 51.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -135.9 134.31 38.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.188 . . . . 0.0 109.945 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.5 t80 -147.71 151.19 35.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.411 1.069 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 m -79.58 140.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 29.8 m-85 -144.15 -66.64 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.432 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -49.7 96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' PHE . 8.6 t70 42.9 28.2 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 109.239 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 87.7 63.56 1.4 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -138.75 117.81 12.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 0.741 . . . . 0.0 109.946 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 p -39.99 142.63 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.407 1.067 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.76 135.71 26.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.82 110.89 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.638 HD22 ' HE3' ' A' ' 75' ' ' TRP . 0.7 OUTLIER -123.33 160.18 27.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.55 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.6 ttp -114.73 157.09 23.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.562 ' ND2' HG13 ' A' ' 38' ' ' VAL . 4.7 p-10 -153.15 166.77 31.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.711 HD21 HG23 ' A' ' 25' ' ' THR . 4.7 mt -126.72 154.49 44.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 t -166.09 147.82 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.26 -169.13 39.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.589 1.181 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.625 HG21 ' O ' ' B' ' 205' ' ' PRO . 1.3 p -112.9 115.51 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 110.46 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.692 HG21 HG12 ' A' ' 132' ' ' ILE . 13.6 mt -86.7 133.97 38.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.01 102.99 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.483 1.781 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 67' ' ' THR . 2.2 t -91.91 113.95 60.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 161.39 38.6 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.456 1.766 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 66' ' ' ASN . 0.4 OUTLIER -139.48 -146.73 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.88 53.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . 115.95 26.49 3.26 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.4 m120 -162.81 170.69 17.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 65.8 m -151.45 101.13 2.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 3.5 m-85 -84.03 -170.89 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.18 120.92 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.437 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -108.18 151.55 41.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.762 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.03 148.1 34.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.575 1.829 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.643 HG13 HD12 ' A' ' 59' ' ' ILE . 18.9 mm -145.72 140.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.243 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.593 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 4.2 t -156.78 118.31 3.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -144.49 138.73 27.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.638 ' HE3' HD22 ' A' ' 52' ' ' LEU . 21.6 m95 -79.87 178.82 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.025 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.454 ' O ' HD21 ' A' ' 52' ' ' LEU . 6.2 tp -141.74 129.8 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.381 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.727 HD23 ' HB3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -101.0 -175.88 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.03 -44.62 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t -176.73 57.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.637 ' CD1' ' HA ' ' A' ' 81' ' ' PRO . 76.2 t80 -177.6 142.17 0.47 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.637 ' HA ' ' CD1' ' A' ' 80' ' ' TYR . 18.1 Cg_endo -74.98 -47.16 0.32 Allowed 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.028 -2.489 . . . . 0.0 110.961 0.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 118' ' ' LYS . 6.6 t80 -110.16 -34.37 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.515 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.1 OUTLIER 165.17 -53.61 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 83' ' ' ASN . 18.1 Cg_endo -75.07 111.27 3.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.727 ' HB3' HD23 ' A' ' 77' ' ' LEU . 18.0 Cg_endo -75.04 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.962 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 73.2 mt -127.86 146.43 33.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 74.0 m -136.39 138.36 41.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.276 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 3.2 p90 -173.84 161.71 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 71' ' ' PRO . 14.8 p -103.02 149.98 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 1.5 mmtp -118.97 79.5 17.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.612 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.4 Cg_endo -74.98 156.92 43.11 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.441 1.758 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 p -73.73 -161.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.7 -29.82 12.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.45 -15.44 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.453 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.5 mtt -62.57 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.1 m -156.39 103.92 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.7 tt -81.54 155.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -131.19 111.48 11.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.178 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.826 HG22 ' O ' ' A' ' 104' ' ' ASP . 34.3 p -65.47 139.38 58.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.31 -154.68 10.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.7 47.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -160.76 -48.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 0.0 109.639 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.2 t -116.67 145.89 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.826 ' O ' HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -86.38 -55.46 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 163.42 -34.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -88.58 -1.57 58.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.467 ' CA ' HG12 ' A' ' 89' ' ' VAL . . . 101.6 -21.65 41.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.32 116.78 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.1 mt -57.56 130.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -102.08 54.95 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 111' ' ' LEU . 16.0 mt -131.47 160.43 67.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.4 Cg_endo -74.99 -54.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.454 ' OH ' HG12 ' A' ' 130' ' ' VAL . 0.8 OUTLIER 59.71 -77.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 114' ' ' LEU . 5.1 tt -54.05 -44.04 70.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.82 33.73 2.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -130.58 -67.28 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.252 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.0 t-105 -75.42 -81.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 0.2 OUTLIER 46.14 42.77 10.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.232 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.974 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.16 -45.99 98.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.974 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.96 -46.85 0.34 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.029 -0.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 58.1 -72.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -43.49 147.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -133.03 178.25 7.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.65 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -40.18 -49.63 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 27' ' ' ASN . 9.9 mp -61.62 -55.46 30.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -52.63 -41.47 57.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 84' ' ' PRO . 7.7 tt -49.03 -57.13 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.3 mp -63.2 -33.31 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.83 -43.9 91.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.454 HG12 ' OH ' ' A' ' 113' ' ' TYR . 6.5 t -59.94 -44.13 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 22.4 ttm -63.96 -36.15 83.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.692 HG12 HG21 ' A' ' 59' ' ' ILE . 36.9 mt -66.37 -26.88 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 t -79.17 -31.82 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.55 -40.03 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 3.7 m-30 -95.09 21.88 7.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.28 -29.69 2.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.48 -65.8 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 0.73 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.95 163.32 19.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.25 3.75 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.45 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.99 -28.22 9.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.612 HG21 ' HB3' ' A' ' 91' ' ' PRO . 14.7 p -171.95 60.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 41.0 p90 -58.8 132.93 55.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 2.4 t -97.72 175.89 6.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.439 ' N ' ' OG ' ' A' ' 143' ' ' SER . 35.5 ptt85 -88.13 156.99 51.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 110.966 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.625 ' O ' HG21 ' A' ' 58' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -47.12 149.01 1.8 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.453 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.4 Cg_endo -75.0 -83.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.718 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.82 -57.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.88 151.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.528 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 138.88 23.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.05 178.97 6.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 212' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -123.23 154.53 38.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p -97.22 -7.45 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.473 ' HB3' HD12 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -67.39 -11.24 57.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.969 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -35.14 -36.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.341 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER -62.36 -60.5 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -23.02 62.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 4' ' ' SER . 0.1 OUTLIER -61.87 -34.39 75.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.593 ' HG3' HG21 ' A' ' 22' ' ' VAL . 6.8 tmtt? -68.31 -30.5 69.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -85.79 -11.98 52.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.504 ' SD ' ' CB ' ' A' ' 39' ' ' LEU . 2.8 mtm -78.49 -10.45 59.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.532 HG12 ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.85 -93.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.6 28.29 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.32 22.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.532 ' CE1' HG12 ' A' ' 12' ' ' VAL . 3.1 m-85 -107.1 148.23 29.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.577 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -51.71 -24.53 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 0.0 109.368 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 13.6 m-85 -151.46 69.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 111.062 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.0 ttp-105 -59.68 -43.65 93.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 110.23 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.67 -55.34 36.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.02 -32.3 70.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -71.62 -52.36 18.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.669 ' O ' HG13 ' A' ' 26' ' ' VAL . 54.7 t -56.02 -41.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -33.95 72.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.015 ' O ' HG23 ' A' ' 28' ' ' VAL . 13.1 mt-10 -73.96 -43.15 59.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -62.19 -48.99 77.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 22' ' ' VAL . 23.0 m -63.08 -41.21 91.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' HB3' HD21 ' A' ' 125' ' ' LEU . 88.4 m-20 -62.49 -38.24 89.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.015 HG23 ' O ' ' A' ' 24' ' ' GLU . 79.2 t -61.03 -61.4 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.767 HG22 ' O ' ' A' ' 35' ' ' LEU . 47.7 pt -59.97 -32.12 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.193 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 19.0 m -71.95 -23.34 61.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 32' ' ' TYR . 4.0 tp -85.82 -49.25 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.674 ' CZ ' HD23 ' A' ' 31' ' ' LEU . 31.5 m-85 -104.79 -58.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 86.74 1.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.601 1.188 . . . . 0.0 109.352 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -96.47 -24.15 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.767 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -87.85 96.74 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -82.25 121.18 78.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD3' HG21 ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.06 138.55 23.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.734 HG13 ' OD1' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -138.28 159.77 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.646 HD13 ' N ' ' A' ' 40' ' ' ASP . 1.8 tm? -113.76 135.74 53.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.646 ' N ' HD13 ' A' ' 39' ' ' LEU . 8.4 p-10 -138.93 136.28 35.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 30.5 t -129.76 133.97 47.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 4.0 t80 -164.62 169.12 17.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.5 139.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.8 m-85 -141.79 -62.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.3 m120 -52.13 92.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 25.3 t70 43.09 28.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 93.64 61.27 1.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.68 115.59 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 t -42.21 141.07 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -142.4 140.48 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -110.21 112.02 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.81 HD11 ' CE3' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -149.02 145.23 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.636 ' N ' HD22 ' A' ' 52' ' ' LEU . 27.9 ptm -91.0 149.24 21.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.069 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.734 ' OD1' HG13 ' A' ' 38' ' ' VAL . 6.1 p30 -125.67 165.54 18.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 54' ' ' ASN . 3.8 mm? -118.61 141.56 48.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 t -149.8 144.41 25.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 155.01 -170.5 33.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.8 p -122.87 110.99 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.338 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.1 pt -80.5 146.07 60.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.76 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.614 ' C ' HG23 ' A' ' 67' ' ' THR . 2.5 t -99.61 114.62 65.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.581 ' N ' HG23 ' A' ' 67' ' ' THR . 18.3 Cg_endo -75.01 155.57 42.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.414 1.744 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.458 ' CB ' ' OD1' ' A' ' 66' ' ' ASN . 1.3 t80 -124.69 -147.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -94.59 5.85 50.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.61 41.65 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.458 ' OD1' ' CB ' ' A' ' 63' ' ' TYR . 3.6 p30 168.43 -176.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.614 HG23 ' C ' ' A' ' 61' ' ' VAL . 88.9 m -153.52 113.74 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 0.8 OUTLIER -88.09 -165.28 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.7 OUTLIER -124.83 112.61 16.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -108.29 133.34 20.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.03 164.0 34.17 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.539 HD11 ' SD ' ' A' ' 131' ' ' MET . 0.0 OUTLIER -165.91 167.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 7.6 t -167.99 143.0 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.553 1.158 . . . . 0.0 108.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -150.84 157.71 43.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.81 ' CE3' HD11 ' A' ' 52' ' ' LEU . 16.1 m95 -107.14 100.03 9.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.023 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 124' ' ' LEU . 1.1 tp -68.82 79.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.43 178.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.552 ' C ' HG22 ' A' ' 79' ' ' THR . 20.8 p-10 -70.27 -33.66 71.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.552 HG22 ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 166.05 66.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.539 ' CD2' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.03 154.89 51.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.539 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -75.03 -37.46 2.21 Favored 'Cis proline' 0 C--N 1.361 1.225 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.006 -0.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.556 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 48.9 m-85 -124.96 -1.23 7.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.627 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER 151.57 -45.33 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.01 115.85 4.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.446 ' HD2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.96 179.8 5.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.418 1.746 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 7.0 mt -67.39 121.92 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.405 ' HB3' ' HE1' ' A' ' 131' ' ' MET . 93.6 m -113.49 113.33 24.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 6.1 p90 -144.35 135.39 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.817 HG12 ' O ' ' A' ' 107' ' ' GLY . 4.4 p -80.62 148.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -122.78 89.66 50.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.379 1.049 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.536 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.4 Cg_endo -74.94 159.76 41.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.409 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 59.2 p -80.51 -135.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -44.63 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.6 t -74.1 -9.72 58.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 1.9 mtm -81.19 179.19 7.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.755 ' C ' HG23 ' A' ' 141' ' ' VAL . 1.3 t -154.61 126.67 7.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 105' ' ' ALA . 2.0 mt -66.8 150.66 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.44 81.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 104' ' ' ASP . 39.8 p -61.96 138.69 58.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.83 -137.98 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -93.5 36.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.511 ' CE1' HG13 ' A' ' 134' ' ' VAL . 1.9 m-70 -148.67 -55.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.1 t -111.3 152.02 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.586 ' O ' HG22 ' A' ' 99' ' ' THR . 1.1 t0 -91.71 -65.06 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 174.0 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -9.59 56.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.817 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 94.35 19.87 31.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.74 144.55 31.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.34 141.4 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -94.49 -54.45 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.7 mt -42.63 119.37 2.43 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 53.37 3.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.527 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.2 p90 -65.22 -39.38 92.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.527 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -56.6 -35.09 67.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.435 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 4.3 t-160 -99.09 28.93 4.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -120.11 -73.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 43.6 t-105 -64.75 -80.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.049 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.557 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER 36.53 42.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.997 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -54.58 -45.28 99.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.55 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.997 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.99 -49.8 0.21 Allowed 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.005 0.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.447 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 29.1 tp60 63.33 -65.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 120' ' ' PRO . 5.5 t -44.61 161.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -127.15 173.54 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 76' ' ' LEU . 1.8 tp -50.56 -38.45 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 27' ' ' ASN . 10.1 mp -61.17 -56.55 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.42 -43.46 93.93 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.537 1.148 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.647 ' C ' HD23 ' A' ' 127' ' ' LEU . 3.9 tt -47.29 -64.51 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.55 HG22 ' CD1' ' A' ' 132' ' ' ILE . 4.7 mt -59.11 -30.8 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 132' ' ' ILE . 5.9 tt0 -58.71 -43.72 90.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.578 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.0 t -64.62 -42.3 94.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.539 ' SD ' HD11 ' A' ' 72' ' ' ILE . 17.1 ttm -66.81 -32.83 74.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.55 ' CD1' HG22 ' A' ' 128' ' ' ILE . 24.6 mt -64.16 -36.86 78.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 19.9 t -77.47 -33.96 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 130' ' ' VAL . 60.9 t -71.53 -50.61 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.6 m-85 -90.59 19.38 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.419 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -114.33 -13.44 9.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.77 -60.95 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.79 159.68 28.7 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.405 1.739 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.52 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.1 Cg_endo -75.1 -28.71 8.78 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.755 HG23 ' C ' ' A' ' 96' ' ' THR . 8.1 p -170.11 61.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.415 ' O ' HG22 ' A' ' 96' ' ' THR . 19.0 p90 -57.51 140.78 49.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.4 t -103.13 174.25 5.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.428 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.1 OUTLIER -63.23 148.82 92.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.223 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -54.75 150.02 20.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.98 -87.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.72 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 77.64 -53.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.64 150.53 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.414 ' CD ' HD12 ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.09 144.7 30.25 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.02 -168.55 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -118.43 162.58 18.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.83 -39.12 38.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -61.83 -47.94 82.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 110.034 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.73 -46.0 10.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.74 -37.88 88.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.04 -19.46 51.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.632 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -68.48 -40.89 80.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HG2' ' NH1' ' A' ' 18' ' ' ARG . 18.3 tttt -67.27 -41.48 85.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -79.53 -12.17 59.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.745 ' CG ' HD23 ' A' ' 39' ' ' LEU . 9.0 ttm -78.41 -15.42 58.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -125.15 -96.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.571 ' H ' HG23 ' A' ' 12' ' ' VAL . 12.8 t 55.76 20.13 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.966 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 15' ' ' TYR . 9.1 ttpt -141.66 -45.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 14' ' ' LYS . 2.5 m-30 -34.05 150.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -50.72 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -133.1 58.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' NH1' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -44.21 -28.7 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -69.5 -55.88 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.5 -40.69 83.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.644 HG23 HD21 ' A' ' 76' ' ' LEU . 53.5 m -62.46 -49.94 73.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.891 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.4 t -59.66 -46.77 92.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 30.3 ttp180 -67.39 -30.29 70.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.4 mm-40 -76.05 -41.83 49.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.625 HG23 HD11 ' A' ' 55' ' ' LEU . 18.7 m -68.47 -55.89 10.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.133 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.891 HG22 ' O ' ' A' ' 22' ' ' VAL . 30.5 m -52.37 -40.11 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.702 ' HB3' HD11 ' A' ' 125' ' ' LEU . 5.3 m-20 -55.53 -47.36 76.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.23 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.587 ' CG2' HD23 ' A' ' 124' ' ' LEU . 67.9 t -56.85 -68.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' LYS . 19.3 pt -52.14 -28.65 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -69.2 -23.12 63.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -46.48 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 74.5 m-85 -92.65 -63.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER 88.04 11.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.91 -20.63 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -80.59 166.33 21.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -154.97 122.18 2.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 128.71 11.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -125.82 161.87 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.745 HD23 ' CG ' ' A' ' 11' ' ' MET . 1.3 tm? -119.82 119.37 33.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.564 ' OD2' ' CH2' ' A' ' 75' ' ' TRP . 42.0 p30 -131.22 160.18 35.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 40.3 t -143.31 127.25 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 6.8 t80 -152.21 162.95 40.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 49' ' ' SER . 10.4 m -78.35 139.52 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 24.1 m-85 -143.72 -67.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -51.38 98.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 t0 50.35 27.31 2.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.1 49.36 5.61 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.1 t -121.29 121.75 38.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 0.735 . . . . 0.0 109.971 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.572 ' N ' HG12 ' A' ' 43' ' ' VAL . 15.7 m -38.21 142.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.409 1.068 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 41' ' ' SER . 5.8 ttm180 -149.52 141.21 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -114.65 136.85 52.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -172.81 152.39 2.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.567 ' HA ' HD22 ' A' ' 39' ' ' LEU . 3.1 ppp? -86.5 139.48 30.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' HD22 ' A' ' 55' ' ' LEU . 7.0 p-10 -125.23 164.28 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 25' ' ' THR . 3.1 mm? -105.04 148.99 26.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' LYS . 3.8 t -153.87 139.66 18.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.43 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 156.77 170.21 21.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.598 HG22 ' HB3' ' B' ' 207' ' ' PRO . 10.8 p -103.45 103.41 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.939 HD13 HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -70.06 138.27 87.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 92.83 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 67' ' ' THR . 2.4 t -77.38 114.09 37.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.11 43.1 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.36 -163.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -12.18 60.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.237 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 66' ' ' ASN . . . -178.43 34.91 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.442 1.088 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 3.2 m120 -164.39 -178.47 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 0.721 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 38.2 m -156.27 107.84 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.585 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.5 m-85 -89.91 -170.74 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -127.7 110.76 12.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -109.17 128.72 24.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.606 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.97 157.8 42.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.747 HD11 ' SD ' ' A' ' 131' ' ' MET . 0.1 OUTLIER -147.21 167.83 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 88' ' ' PHE . 11.8 t -151.96 103.5 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HA ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -102.5 135.83 43.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.564 ' CH2' ' OD2' ' A' ' 40' ' ' ASP . 93.7 m95 -103.68 91.93 4.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.644 HD21 HG23 ' A' ' 21' ' ' THR . 7.5 tp -79.72 98.52 7.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.591 HD22 ' OD1' ' A' ' 78' ' ' ASP . 0.7 OUTLIER -68.62 -158.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.247 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.591 ' OD1' HD22 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -88.11 45.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 79' ' ' THR . 5.5 p 40.95 66.86 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.637 ' CD2' ' HA ' ' A' ' 81' ' ' PRO . 1.8 t80 -167.69 148.79 4.9 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.637 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -75.06 -21.35 15.47 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.979 0.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -148.32 -50.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.2 116.36 2.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.34 3.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.496 1.788 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.803 ' HB2' HD22 ' A' ' 114' ' ' LEU . 18.2 Cg_endo -75.04 55.56 4.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.445 1.761 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.48 HG22 ' CD1' ' A' ' 75' ' ' TRP . 19.7 mt -117.85 94.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 40.0 m -116.1 131.87 56.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.462 ' HE1' HG23 ' A' ' 86' ' ' ILE . 19.7 m-85 -137.28 173.19 11.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 107' ' ' GLY . 10.0 p -131.2 152.6 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -118.16 80.04 15.09 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -170.25 0.75 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 p -118.69 -139.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.21 -42.87 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.47 -8.14 57.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.536 ' HE3' ' HB2' ' B' ' 207' ' ' PRO . 3.5 mtt -65.74 -173.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.0 m -151.36 86.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.391 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.716 ' HA ' HG23 ' A' ' 141' ' ' VAL . 0.7 OUTLIER -58.39 134.23 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.379 1.049 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 102.03 11.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 72.3 p -82.73 138.06 34.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.07 -136.96 4.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 47.76 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 0.738 . . . . 0.0 109.369 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.749 ' CD2' HD13 ' A' ' 111' ' ' LEU . 3.6 m80 -163.74 -56.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.656 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 104' ' ' ASP . 1.6 t -112.06 170.47 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.7 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -117.68 -58.23 2.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 163.07 -38.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.7 0.79 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.733 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 85.53 23.94 44.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.02 119.14 38.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.47 138.48 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -148.39 100.28 3.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.749 HD13 ' CD2' ' A' ' 102' ' ' HIS . 0.6 OUTLIER -177.26 177.42 0.45 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 115' ' ' HIS . 18.3 Cg_endo -74.99 74.71 3.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.541 ' HB2' HD21 ' A' ' 111' ' ' LEU . 3.4 t80 -117.64 -43.9 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.803 HD22 ' HB2' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -78.77 -41.8 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' A' ' 112' ' ' PRO . 2.0 p-80 -93.5 40.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.33 -71.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.46 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 37.7 t-105 -75.0 -84.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.8 tttt 44.34 47.33 7.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -51.78 -46.04 91.9 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 109.603 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.04 -51.98 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 120.946 -2.522 . . . . 0.0 110.998 0.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.541 ' C ' ' CD ' ' A' ' 121' ' ' GLN . 0.0 OUTLIER 60.79 -69.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 120' ' ' PRO . 4.7 t -38.41 146.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.06 174.24 6.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.377 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.587 HD23 ' CG2' ' A' ' 28' ' ' VAL . 1.2 tp -47.05 -45.6 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 27' ' ' ASN . 9.6 mp -58.83 -45.98 88.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.25 -34.26 74.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.617 HD23 HG13 ' A' ' 128' ' ' ILE . 1.8 tt -50.87 -60.26 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.784 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.617 HG13 HD23 ' A' ' 127' ' ' LEU . 3.3 mt -61.79 -35.61 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -52.14 -44.9 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 134' ' ' VAL . 93.3 t -60.95 -38.35 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.747 ' SD ' HD11 ' A' ' 72' ' ' ILE . 2.2 ttm -64.89 -43.19 93.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.939 HD11 HD13 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -59.47 -30.17 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 t -77.72 -41.96 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.53 HG13 ' NE2' ' A' ' 102' ' ' HIS . 79.3 t -69.38 -50.38 52.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.614 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 4.2 m-85 -75.02 -6.77 51.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -92.41 -40.19 5.15 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -55.64 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.58 151.46 39.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.614 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.98 -27.84 9.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.716 HG23 ' HA ' ' A' ' 97' ' ' ILE . 13.0 p -173.9 56.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 142' ' ' PHE . 16.5 p90 -55.89 128.02 33.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' B' ' 208' ' ' THR . 17.7 t -103.04 -177.49 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.937 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.435 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.2 OUTLIER -79.19 154.78 77.26 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.266 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 111.029 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -50.82 151.21 4.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.598 ' HB3' HG22 ' A' ' 58' ' ' THR . 18.2 Cg_endo -75.01 -81.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.494 1.786 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.722 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.44 -56.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.04 149.06 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.585 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.08 139.31 23.93 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.392 1.733 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.98 169.86 21.69 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.81 -151.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 p -101.0 6.91 9.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER -60.87 -15.31 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.037 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.83 ' OE1' HG13 ' A' ' 22' ' ' VAL . 4.6 tm-20 -39.08 -41.96 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -49.05 77.08 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -70.25 -25.44 63.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 1.076 . . . . 0.0 110.332 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.605 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.3 tp -56.3 -60.08 4.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.2 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -51.85 -25.82 8.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -29.26 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -72.22 -19.8 61.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -107.41 -94.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.468 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 55.93 17.58 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -37.78 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.686 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.5 m-30 -48.2 144.7 3.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -44.0 -52.64 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.378 1.049 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 34.3 m-85 -127.2 68.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.35 -36.97 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -54.45 42.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.01 -35.51 71.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.686 HG21 ' CD2' ' A' ' 15' ' ' TYR . 48.0 m -69.39 -55.71 9.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.436 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.83 HG13 ' OE1' ' A' ' 5' ' ' GLU . 39.2 t -52.04 -43.42 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.223 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' HA ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -64.96 -30.0 70.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.41 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -42.94 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.3 m -66.52 -45.14 80.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 22' ' ' VAL . 26.5 m -63.75 -46.45 94.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.422 ' N ' HG23 ' A' ' 26' ' ' VAL . 8.9 m-20 -47.22 -46.06 23.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 31' ' ' LEU . 38.6 t -57.12 -69.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.5 pt -53.83 -20.62 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' VAL . 14.4 m -81.72 -19.25 41.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -98.29 -53.64 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.92 -51.63 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt 70.97 10.04 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.66 -21.15 13.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.628 HD13 HG22 ' A' ' 59' ' ' ILE . 1.1 mp -75.89 170.27 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.36 113.84 3.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HA ' HD13 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -75.02 120.1 5.92 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -113.81 159.64 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.23 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -116.42 129.5 56.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.556 ' N ' HD13 ' A' ' 39' ' ' LEU . 51.3 t0 -151.82 162.3 41.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.4 t -128.72 133.3 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.1 t80 -121.36 157.36 30.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 m -84.29 142.28 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 43.9 m-85 -145.72 -67.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -51.99 93.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.229 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' PHE . 36.2 t0 46.6 26.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 92.09 51.55 2.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 t -121.51 120.66 35.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 p -45.46 146.09 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.051 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -147.21 136.85 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -75.53 124.92 28.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -150.09 171.43 16.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 ttm -116.64 158.4 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 5.3 p-10 -148.24 158.52 44.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 76' ' ' LEU . 4.3 mm? -117.0 147.45 42.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 t -161.75 143.01 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.75 -169.51 41.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.374 1.046 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 2.1 p -118.34 99.46 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.628 HG22 HD13 ' A' ' 35' ' ' LEU . 7.4 pt -82.29 144.63 50.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.04 113.6 3.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.95 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 61' ' ' VAL . 1.6 t -100.43 108.98 55.61 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.461 ' CA ' HG23 ' A' ' 67' ' ' THR . 18.5 Cg_endo -74.96 149.22 36.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.822 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.511 ' CE1' ' HG2' ' B' ' 210' ' ' PRO . 0.6 OUTLIER -132.91 24.84 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 66.68 83.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.261 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.15 -22.49 10.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.02 170.12 18.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.461 HG23 ' CA ' ' A' ' 62' ' ' PRO . 6.8 m -152.18 107.8 3.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 2.0 m-85 -89.26 -167.52 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.3 OUTLIER -126.46 112.92 16.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.422 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -109.14 143.59 27.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.982 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.0 153.84 42.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.0 mm -142.24 147.03 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.499 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 1.7 t -153.18 130.72 11.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.7 pt? -163.84 156.23 17.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.4 ' CD1' HG21 ' A' ' 86' ' ' ILE . 62.6 m95 -94.81 169.83 9.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 107.975 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.83 HD11 HD21 ' A' ' 124' ' ' LEU . 1.3 tp -126.7 115.52 19.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.59 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -55.81 -169.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.535 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -145.14 24.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 79' ' ' THR . 2.2 m -140.81 16.88 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -44.64 154.96 0.4 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 18.4 Cg_endo -74.94 132.44 27.56 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.054 -2.477 . . . . 0.0 110.985 -0.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.449 ' N ' ' HA ' ' A' ' 80' ' ' TYR . 0.4 OUTLIER -148.33 -44.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.696 ' OD1' HD11 ' A' ' 114' ' ' LEU . 4.4 t-20 75.06 110.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.522 ' HB3' HD23 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.97 131.54 14.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -2.16 12.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.4 HG21 ' CD1' ' A' ' 75' ' ' TRP . 22.0 mm -86.02 89.55 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.417 ' HB2' HD12 ' A' ' 109' ' ' ILE . 38.7 m -129.42 105.15 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.27 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 23.3 p90 -136.35 140.9 43.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.982 HG23 ' O ' ' A' ' 71' ' ' PRO . 6.1 p -86.96 147.9 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -116.8 83.82 14.81 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.98 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.431 1.753 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.0 p -109.47 -160.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.451 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.83 -29.78 12.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -81.71 -6.48 59.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.1 mtt -82.49 -175.68 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.462 ' C ' HG23 ' A' ' 141' ' ' VAL . 51.3 m -146.15 99.3 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.463 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -67.2 135.04 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.52 129.7 54.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 30.1 p -98.1 139.09 34.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.406 1.066 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.88 -133.33 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.878 ' O ' HD11 ' A' ' 111' ' ' LEU . 3.4 mmtt -96.81 43.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.797 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.78 ' CD2' HG11 ' A' ' 134' ' ' VAL . 12.0 m80 -160.16 -61.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.061 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 99' ' ' THR . 97.6 t -103.54 137.06 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.8 OUTLIER -89.81 -67.85 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -178.54 54.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -167.44 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.457 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 123.5 -5.88 9.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.52 1.137 . . . . 0.0 111.044 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -76.7 136.0 39.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.417 HD12 ' HB2' ' A' ' 87' ' ' CYS . 17.8 mt -81.39 141.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -137.35 84.27 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.165 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.878 HD11 ' O ' ' A' ' 101' ' ' LYS . 17.3 mt -154.76 142.5 14.04 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.3 Cg_endo -75.07 52.1 2.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.559 1.821 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.676 ' CE1' HD12 ' A' ' 114' ' ' LEU . 9.7 p90 -88.56 -31.82 18.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.696 HD11 ' OD1' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -79.77 -28.32 40.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -96.93 31.49 2.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.586 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.23 -64.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.418 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.2 t-105 -62.92 -80.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.031 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.547 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 5.2 tttt 43.8 41.29 3.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.939 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.2 -46.31 97.88 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.562 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.939 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.02 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.956 0.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.4 tm0? 61.16 -67.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -48.02 152.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.22 176.78 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.83 HD21 HD11 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -48.33 -39.86 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.55 -52.48 65.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.58 -28.91 74.08 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.608 HD13 ' C ' ' A' ' 127' ' ' LEU . 2.8 tm? -62.87 -58.79 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.9 mt -59.57 -23.77 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.98 -43.12 72.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.18 -42.17 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.406 ' SD ' HD11 ' A' ' 109' ' ' ILE . 5.9 mtt -64.22 -37.13 86.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 mt -64.69 -28.5 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.59 -45.05 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.78 HG11 ' CD2' ' A' ' 102' ' ' HIS . 53.4 t -71.8 -50.84 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -70.5 -16.77 62.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.426 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -85.31 -31.89 21.26 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.62 -51.44 5.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 1.0 OUTLIER -106.12 142.27 24.49 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.86 3.66 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.389 1.731 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 138' ' ' GLU . 18.1 Cg_endo -75.02 -29.24 8.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 97' ' ' ILE . 11.1 p -168.87 56.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 36.2 p90 -57.89 123.27 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.0 OUTLIER -81.13 171.08 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.42 125.28 29.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 206' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 pt-20 -50.73 148.47 7.13 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' ASN . 18.4 Cg_endo -74.95 -86.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.42 -54.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 85.98 149.81 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.511 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.06 140.41 25.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.95 175.52 11.12 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.82 155.34 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 110.32 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.1 p -83.63 -0.71 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.5 OUTLIER -82.07 -15.52 53.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.99 -46.16 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -59.51 -42.66 92.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -77.03 -21.1 55.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.918 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -65.4 -36.32 83.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HE3' ' NH2' ' A' ' 18' ' ' ARG . 54.4 tttt -65.82 -33.28 75.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -11.44 53.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.841 ' CG ' HD23 ' A' ' 39' ' ' LEU . 10.8 ttm -81.04 -29.1 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.656 HG21 ' CG2' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -90.27 -98.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.558 ' H ' HG23 ' A' ' 12' ' ' VAL . 7.4 t 46.68 25.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 110.074 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 12.6 tttp -154.1 57.65 0.72 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.431 ' CE2' HG12 ' A' ' 12' ' ' VAL . 2.2 m-85 -150.33 146.0 26.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HD3' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -43.2 -45.91 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.378 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' CE2' ' HD3' ' A' ' 16' ' ' LYS . 56.7 m-85 -131.65 76.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' NH2' ' HE3' ' A' ' 9' ' ' LYS . 18.0 ttp180 -59.85 -39.59 85.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -55.77 18.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.36 -35.24 76.9 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -70.39 -56.84 5.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.745 ' O ' HG22 ' A' ' 26' ' ' VAL . 4.0 t -56.7 -28.82 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -32.5 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.219 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -41.05 44.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.589 HG23 HD11 ' A' ' 55' ' ' LEU . 18.4 m -67.42 -50.86 57.55 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.444 1.09 . . . . 0.0 110.451 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 22' ' ' VAL . 31.7 m -57.0 -41.45 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' HB3' HD21 ' A' ' 125' ' ' LEU . 37.0 m-20 -56.01 -42.12 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.454 HG13 ' CE2' ' A' ' 32' ' ' TYR . 22.4 t -61.21 -65.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' LYS . 35.3 pt -56.5 -23.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -71.96 -27.52 62.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -88.52 -45.47 9.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.454 ' CE2' HG13 ' A' ' 28' ' ' VAL . 15.9 m-85 -87.07 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER 83.46 6.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 -24.52 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.35 139.34 45.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -123.45 116.7 28.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' CG ' HD22 ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.0 128.99 11.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -122.16 162.85 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.841 HD23 ' CG ' ' A' ' 11' ' ' MET . 0.9 OUTLIER -113.74 140.66 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.633 ' N ' HD13 ' A' ' 39' ' ' LEU . 45.1 p30 -143.53 152.27 41.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.7 t -133.64 119.67 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.087 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.1 t80 -129.69 162.17 28.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.43 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 3.4 m -82.75 135.15 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.729 ' CE2' HD12 ' A' ' 52' ' ' LEU . 24.0 m-85 -139.68 -62.08 0.53 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -56.23 92.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 46.3 27.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.88 61.38 1.36 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.39 111.78 9.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 110.054 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.63 135.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -142.98 137.19 29.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.48 128.11 35.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.729 HD12 ' CE2' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -143.7 147.46 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.37 155.6 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.493 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.8 p-10 -152.12 146.62 25.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.589 HD11 HG23 ' A' ' 25' ' ' THR . 0.5 OUTLIER -99.19 142.88 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 t -156.25 135.8 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.86 -176.21 43.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.59 HG21 ' O ' ' B' ' 205' ' ' PRO . 3.0 p -107.48 110.14 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.508 HG23 ' HD2' ' A' ' 60' ' ' PRO . 8.6 mt -85.66 137.28 36.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.508 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.97 111.37 3.31 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.26 115.29 60.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo -74.94 134.77 18.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.36 -174.8 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 48.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.55 -35.8 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -175.33 -175.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.739 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 60.7 m -114.23 104.37 12.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 3.3 m-85 -81.7 -167.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.1 OUTLIER -130.88 118.59 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 109.38 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.402 HD12 ' HD3' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -108.28 141.83 24.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.773 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.02 146.49 32.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.641 HD12 ' SD ' ' A' ' 131' ' ' MET . 14.0 mm -136.43 150.44 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.564 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 42.5 t -154.33 127.81 8.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 108.277 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.9 pt? -159.65 145.25 15.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.538 ' CE3' HD13 ' A' ' 52' ' ' LEU . 32.3 m95 -83.78 -178.98 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 107.969 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.995 HD11 HD21 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -150.64 106.03 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt -76.8 -167.59 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -85.88 -58.89 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 t -174.19 64.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 1.5 t80 178.37 96.37 0.15 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.534 ' HA ' ' HA ' ' A' ' 80' ' ' TYR . 18.1 Cg_endo -75.09 -164.19 3.5 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.934 0.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -56.15 -16.86 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.46 168.9 12.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.686 ' HG3' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -74.97 124.13 8.41 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -12.47 21.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.812 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.401 HG21 ' CD1' ' A' ' 75' ' ' TRP . 4.2 mp -90.48 98.4 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.3 m -132.08 117.11 17.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 108.31 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' SG ' ' A' ' 73' ' ' CYS . 49.1 p90 -152.33 159.59 43.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.146 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.935 HG12 ' O ' ' A' ' 107' ' ' GLY . 13.3 p -97.7 146.59 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.05 81.67 28.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.515 ' CB ' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -74.96 156.48 43.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.8 p -71.59 -167.11 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -33.51 13.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.959 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.62 -17.92 59.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.0 mtt -63.66 -171.84 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.2 m -145.22 106.25 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.62 131.77 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.06 89.15 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.2 p -65.18 141.86 58.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.81 -148.38 8.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.16 45.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 0.768 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.705 ' CE1' HG13 ' A' ' 134' ' ' VAL . 2.1 m-70 -153.51 -50.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.568 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 104' ' ' ASP . 19.4 t -111.22 166.67 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.644 ' O ' HG22 ' A' ' 99' ' ' THR . 0.6 OUTLIER -100.84 -61.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 177.42 -36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.84 -18.1 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.23 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.935 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 115.6 -5.11 21.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 137.85 45.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.6 mt -68.96 122.93 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.536 ' O ' HD22 ' A' ' 111' ' ' LEU . 20.0 t80 -105.96 35.76 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 1.0 OUTLIER -117.43 121.95 31.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.83 4.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 27.9 m-85 -70.67 -20.12 62.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.7 tp -79.81 -31.42 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.232 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.99 20.31 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -115.88 -75.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 44.7 t-105 -62.59 -78.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 108.048 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.547 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 39.51 39.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.961 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -52.52 -46.22 95.42 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 109.56 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.961 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.99 -45.37 0.46 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.023 -0.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 25.5 tp60 60.53 -66.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 120' ' ' PRO . 8.2 t -40.77 157.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.941 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 126' ' ' GLY . 51.3 m-20 -131.25 167.56 19.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.995 HD21 HD11 ' A' ' 76' ' ' LEU . 4.1 tp -43.35 -39.64 3.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 27' ' ' ASN . 7.8 mp -62.68 -46.47 88.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -70.24 -21.76 77.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.29 -61.02 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 124' ' ' LEU . 4.8 mp -63.78 -38.97 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.12 -46.43 68.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.0 t -65.22 -35.54 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.641 ' SD ' HD12 ' A' ' 72' ' ' ILE . 52.1 ttm -69.95 -34.3 73.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.6 -31.95 54.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.9 t -76.29 -32.86 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.705 HG13 ' CE1' ' A' ' 102' ' ' HIS . 72.6 t -77.19 -39.44 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.2 m-85 -103.81 32.5 3.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -123.49 -39.45 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.13 -50.88 14.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -106.0 155.52 38.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.562 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -75.08 -26.72 10.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.515 HG21 ' CB ' ' A' ' 91' ' ' PRO . 14.9 p -173.01 61.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 16.8 p90 -59.35 129.54 42.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 6.4 t -98.11 178.28 5.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' OG ' ' A' ' 143' ' ' SER . 6.4 ppt_? -64.66 155.5 81.65 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.04 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 205' ' ' PRO . . . . . 0.59 ' O ' HG21 ' A' ' 58' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -49.59 149.17 4.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.45 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.4 Cg_endo -74.97 -85.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.555 1.818 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.738 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.39 -55.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.382 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.62 148.34 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.576 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 137.61 21.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.447 1.762 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 -176.5 2.92 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 212' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -104.55 158.58 16.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.1 pp20? . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -105.02 -13.05 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -59.57 -29.97 68.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.399 1.062 . . . . 0.0 110.05 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 4' ' ' SER . 3.8 m -71.94 -55.88 6.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -31.22 70.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 12' ' ' VAL . 2.7 tp -56.31 -51.91 66.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -26.47 64.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -13.06 55.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 39' ' ' LEU . 28.0 mtm -91.34 -13.69 32.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -109.82 -100.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.509 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER 53.44 23.4 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -129.3 -45.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.469 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.7 m-85 -37.58 142.32 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.899 ' HB2' HG21 ' A' ' 79' ' ' THR . 0.6 OUTLIER -55.83 -25.33 41.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -140.1 61.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 10.1 ttp-105 -49.18 -47.15 46.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -59.75 -54.08 50.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.21 -42.75 77.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.614 1.196 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 15' ' ' TYR . 85.7 m -64.61 -57.15 9.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.987 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.5 t -54.29 -43.47 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.536 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 12.9 ttt-85 -60.1 -27.96 67.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.3 mt-10 -78.16 -29.05 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.1 m -87.45 -44.9 10.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.987 HG13 ' O ' ' A' ' 22' ' ' VAL . 9.5 m -51.42 -52.8 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.577 ' ND2' ' HA ' ' A' ' 24' ' ' GLU . 5.0 p30 -64.21 -46.82 82.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 24' ' ' GLU . 2.8 t -53.7 -61.68 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 25' ' ' THR . 10.3 pt -59.12 -31.5 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 12.1 m -76.39 -16.14 59.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.19 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.596 HD23 ' CE1' ' A' ' 32' ' ' TYR . 4.5 tp -89.84 -43.17 10.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.231 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.596 ' CE1' HD23 ' A' ' 31' ' ' LEU . 8.9 m-85 -99.37 -56.64 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' ILE . 1.0 OUTLIER 78.81 2.73 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -106.26 -20.75 13.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.52 HD13 ' CG2' ' A' ' 59' ' ' ILE . 1.1 tp -85.67 137.92 32.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -119.43 115.77 33.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 122.91 7.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.2 m -117.49 154.89 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.438 HD13 ' C ' ' A' ' 39' ' ' LEU . 1.4 tm? -106.13 115.1 29.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -107.22 152.92 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 27.7 t -153.51 109.19 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.595 1.184 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.1 t80 -143.31 168.52 19.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.673 HG12 ' N ' ' A' ' 49' ' ' SER . 13.8 m -83.88 141.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.4 m-85 -145.6 -65.15 0.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -52.93 97.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t70 50.11 25.85 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.28 55.09 3.15 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -128.72 121.44 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 0.735 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.673 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -39.76 140.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.622 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 7.4 ttm180 -146.2 135.94 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 1.1 tt0 -97.23 143.34 28.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.063 HD13 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -174.33 146.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.98 134.84 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.598 ' C ' HD22 ' A' ' 55' ' ' LEU . 4.6 t30 -116.82 157.95 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.598 HD22 ' C ' ' A' ' 54' ' ' ASN . 1.2 mm? -114.69 139.38 49.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -146.94 157.15 43.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.79 -165.47 25.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 11.2 p -126.22 133.66 51.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.658 HD12 HG12 ' A' ' 132' ' ' ILE . 39.4 pt -106.42 149.39 38.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.59 3.83 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.437 1.757 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.623 HG13 ' HA2' ' A' ' 136' ' ' GLY . 2.4 t -109.77 109.76 59.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.04 40.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.92 -149.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -21.84 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 66' ' ' ASN . . . 176.23 37.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' CG ' ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -164.26 135.72 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.4 m -111.04 103.03 11.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.3 m-85 -88.04 -165.24 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.1 OUTLIER -130.67 117.73 19.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -109.87 149.73 40.38 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.394 1.059 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.621 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.06 150.42 37.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.436 HD12 ' SD ' ' A' ' 131' ' ' MET . 20.8 mm -143.03 138.79 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.753 ' O ' HD22 ' A' ' 74' ' ' LEU . 12.1 t -140.35 125.73 18.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.753 HD22 ' O ' ' A' ' 73' ' ' CYS . 4.0 mm? -134.86 125.41 26.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -93.18 84.29 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.542 HD11 HD11 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -70.39 102.78 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.622 HD21 ' CZ ' ' A' ' 50' ' ' ARG . 4.7 mt -67.96 -176.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.1 OUTLIER -74.45 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.899 HG21 ' HB2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 177.99 54.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.453 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.524 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 2.5 m-85 -162.05 138.99 6.25 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -74.98 -21.67 14.97 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.012 -0.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.82 -42.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.49 167.95 18.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 113.29 3.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.659 ' HA ' HD11 ' A' ' 114' ' ' LEU . 18.1 Cg_endo -75.01 -43.88 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.446 1.761 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.59 104.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 61.4 m -138.51 116.49 11.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 108.381 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 73' ' ' CYS . 13.8 p90 -159.95 173.19 16.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -105.26 154.52 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 9.8 mmtt -118.63 85.23 26.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -75.0 177.74 8.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.437 1.756 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.6 p -97.37 -163.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.91 -37.47 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -11.41 60.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.177 . . . . 0.0 109.95 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.1 mtt -71.14 -173.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.073 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.436 ' HG1' ' C ' ' A' ' 95' ' ' MET . 24.9 m -152.68 103.85 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.77 HD13 ' O ' ' A' ' 105' ' ' ALA . 0.4 OUTLIER -72.5 144.4 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -119.81 100.89 7.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 104' ' ' ASP . 24.0 p -66.1 139.28 58.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.4 -148.3 6.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -89.31 50.08 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 0.802 . . . . 0.0 109.259 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -164.44 -55.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.614 1.196 . . . . 0.0 109.59 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.6 t -112.49 151.31 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.553 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -94.85 -54.77 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.77 ' O ' HD13 ' A' ' 97' ' ' ILE . . . 172.6 -39.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.63 -6.45 44.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.545 ' CA ' HD11 ' A' ' 97' ' ' ILE . . . 82.83 26.1 46.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -106.58 121.92 45.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.1 mt -57.03 129.05 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.653 ' O ' HD22 ' A' ' 111' ' ' LEU . 75.2 t80 -128.7 47.28 2.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.653 HD22 ' O ' ' A' ' 110' ' ' TYR . 1.7 mm? -123.29 160.01 52.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.4 3.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.779 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -101.32 -42.49 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -77.6 -38.48 48.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.76 44.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -125.03 -76.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.47 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 5.0 t90 -66.76 -83.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.567 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.1 tttt 41.19 49.52 3.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.984 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -55.9 -44.68 99.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.984 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.99 -50.64 0.18 OUTLIER 'Cis proline' 0 C--N 1.361 1.215 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.982 -0.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.411 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.8 tp-100 62.8 -65.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 120' ' ' PRO . 2.9 t -47.43 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.9 169.66 15.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.542 HD11 HD11 ' A' ' 76' ' ' LEU . 5.4 mp -40.53 -44.22 2.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.531 HD13 ' OD1' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -52.39 -62.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.15 -37.63 59.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.0 tt -64.36 -58.27 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.424 ' CG2' ' OH ' ' A' ' 32' ' ' TYR . 5.6 mt -61.22 -34.62 61.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -54.72 -46.13 74.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 134' ' ' VAL . 43.0 t -62.54 -47.3 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.436 ' SD ' HD12 ' A' ' 72' ' ' ILE . 18.6 ttm -59.49 -38.82 81.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.658 HG12 HD12 ' A' ' 59' ' ' ILE . 23.0 mt -61.27 -33.52 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.0 t -80.1 -39.17 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 130' ' ' VAL . 88.4 t -69.16 -36.6 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 4.9 m-85 -110.23 33.25 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.623 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -121.45 -42.4 0.46 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.536 1.147 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -69.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 0.716 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -84.96 155.78 60.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.404 1.065 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.21 3.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.558 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.4 Cg_endo -74.97 -28.52 9.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.439 1.758 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 141' ' ' VAL . 7.1 p -170.19 59.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 25.6 p90 -56.06 137.08 51.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.596 1.185 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.1 t -103.28 174.22 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.419 ' N ' ' OG ' ' A' ' 143' ' ' SER . 1.5 ptt85 -62.09 155.98 61.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.953 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -52.25 151.27 7.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.465 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.99 -84.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.723 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 76.14 -55.81 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.408 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.75 151.5 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 210' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.06 139.73 24.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.573 1.828 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.01 163.75 34.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.43 -15.21 18.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.76 -23.78 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -56.9 -22.49 37.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.65 -28.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.4 t -68.66 -53.3 23.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -79.81 -25.39 40.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.31 -34.47 77.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.951 ' N ' HD13 ' A' ' 8' ' ' LEU . 7.5 ttmt -73.49 -29.52 62.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -21.6 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.401 ' HB3' HD23 ' A' ' 39' ' ' LEU . 22.7 mtp -67.24 -13.18 61.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.61 HG12 ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -114.4 -90.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.584 1.178 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 45.3 t 67.28 -60.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' VAL . 13.3 tttt -86.52 54.06 3.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.61 ' CD1' HG12 ' A' ' 12' ' ' VAL . 1.2 m-85 -125.49 127.82 47.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -39.91 -61.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -105.2 55.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.9 ttp180 -51.67 -40.4 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -70.24 -57.75 4.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -39.46 63.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.456 HG23 HD21 ' A' ' 76' ' ' LEU . 96.3 m -70.27 -55.24 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.451 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.907 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.6 t -49.68 -38.73 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -39.16 63.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -41.8 91.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.0 m -65.95 -59.43 3.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 22' ' ' VAL . 28.2 m -55.89 -40.89 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' HB3' HD11 ' A' ' 125' ' ' LEU . 7.4 m-20 -54.6 -47.21 73.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 t -55.96 -68.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.4 pt -52.86 -27.49 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 5.3 m -74.91 -30.22 61.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.133 . . . . 0.0 110.382 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tt -85.59 -46.75 10.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 45.1 m-85 -92.14 -67.89 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 1.3 ttpp 87.59 12.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -109.68 -22.6 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.634 HD13 HG22 ' A' ' 59' ' ' ILE . 1.3 tp -75.42 174.49 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -153.75 117.77 2.71 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.624 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.05 129.15 12.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -132.75 162.7 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.794 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -116.52 148.06 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.794 ' N ' HD13 ' A' ' 39' ' ' LEU . 3.7 p30 -140.88 160.23 40.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -133.46 142.88 48.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -159.17 145.33 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.523 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 3.7 m -78.63 140.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 21.9 m-85 -147.82 -55.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -56.95 87.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 17.7 t70 49.49 23.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.16 59.9 1.03 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -139.34 118.33 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 0.816 . . . . 0.0 109.949 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -38.12 141.86 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.44 HH11 HD12 ' A' ' 52' ' ' LEU . 6.5 ttm180 -137.48 140.09 40.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.41 114.36 22.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.936 HD21 HD22 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -133.08 141.46 48.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.77 ' HA ' HD22 ' A' ' 39' ' ' LEU . 9.0 ttp -89.03 162.66 15.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 3.0 p-10 -163.35 149.61 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 37' ' ' PRO . 28.8 mt -113.76 161.67 17.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 t -165.95 145.18 6.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 160.1 -171.38 36.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.407 HG22 ' HB3' ' B' ' 207' ' ' PRO . 10.3 p -112.11 107.47 16.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 0.725 . . . . 0.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.634 HG22 HD13 ' A' ' 35' ' ' LEU . 28.1 pt -85.2 149.48 52.7 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 114.71 4.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 61' ' ' VAL . 2.3 t -109.49 103.89 53.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.477 ' N ' HG23 ' A' ' 67' ' ' THR . 18.3 Cg_endo -74.98 153.64 41.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.38 20.96 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 71.26 75.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.286 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.89 -31.43 3.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -152.22 146.9 25.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 62' ' ' PRO . 87.1 m -125.53 115.22 19.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.1 m-85 -90.18 -168.22 2.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB2' ' HA ' ' B' ' 207' ' ' PRO . 0.4 OUTLIER -120.07 115.23 23.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -113.53 128.47 25.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.472 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.3 Cg_endo -74.95 166.76 28.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.576 HG23 ' N ' ' A' ' 73' ' ' CYS . 0.0 OUTLIER -164.46 174.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.576 ' N ' HG23 ' A' ' 72' ' ' ILE . 11.3 t -173.72 116.46 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 108.31 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 1.8 pt? -135.33 165.25 25.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -104.01 156.26 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 108.041 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.742 HD11 HD21 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -126.48 110.12 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.936 HD22 HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -82.74 -173.5 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.459 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.9 OUTLIER -88.34 -48.04 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 173.4 63.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.418 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' PRO . 2.1 t80 179.21 82.14 0.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -75.04 177.92 36.96 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.976 0.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -66.44 -11.51 52.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.693 ' OD1' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -99.94 164.46 16.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.585 ' HD2' HD13 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 86' ' ' ILE . 18.1 Cg_endo -75.03 -173.7 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 86' ' ' ILE . 6.1 mt 40.08 89.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 13.9 m -116.81 127.46 54.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 6.5 p90 -162.44 160.59 26.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 107' ' ' GLY . 8.3 p -92.36 153.79 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.34 81.01 45.56 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.446 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -75.04 174.7 12.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.523 HG23 ' SD ' ' A' ' 95' ' ' MET . 44.0 p -96.37 -139.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 110.465 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.72 -44.1 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.433 1.083 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -14.61 61.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.643 ' HE3' ' HB2' ' B' ' 207' ' ' PRO . 0.0 OUTLIER -77.22 -173.81 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.068 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 141' ' ' VAL . 4.9 t -152.44 130.06 11.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 98' ' ' LYS . 0.9 OUTLIER -81.37 162.75 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.454 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 3.0 tmtm? -131.18 104.26 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.8 p -78.94 138.55 38.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.85 -145.53 5.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 0.0 OUTLIER -88.99 45.48 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 11.3 m80 -163.31 -45.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.554 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.5 t -110.82 156.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.419 1.074 . . . . 0.0 109.327 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.657 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.7 t0 -103.77 -58.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 165.32 -30.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.61 2.54 50.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.606 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 87.38 0.11 84.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.69 120.26 24.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 23.5 mt -59.74 124.13 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -89.16 -47.35 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -44.08 107.8 0.64 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 59.77 5.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.3 p90 -82.81 -38.35 23.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.517 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 1.5 tt -57.81 -29.76 65.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.55 36.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.64 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -128.33 -48.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 37.4 t-105 -72.84 -81.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 107.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.553 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.5 ttpm? 37.6 40.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.985 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -54.77 -45.3 99.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.563 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.985 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.01 -48.67 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.999 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 25.1 tp60 65.02 -61.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 120' ' ' PRO . 5.1 t -49.98 162.9 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -129.76 162.43 28.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.742 HD21 HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -48.56 -40.49 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 27' ' ' ASN . 11.3 mp -64.72 -46.59 81.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.56 -31.85 77.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.051 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.693 HD12 ' OD1' ' A' ' 83' ' ' ASN . 3.2 tt -57.18 -60.75 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.06 -30.22 38.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -44.28 88.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.12 -45.03 96.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.424 ' SD ' HD11 ' A' ' 72' ' ' ILE . 2.5 ttm -61.96 -34.44 76.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.408 ' CD1' ' OH ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -62.36 -38.13 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.18 -34.98 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.7 t -72.5 -49.4 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.65 -1.67 47.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.66 -25.29 13.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -47.68 11.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.01 151.65 45.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 112.82 3.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -28.27 9.2 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 96' ' ' THR . 7.5 p -170.42 59.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.574 ' CG ' ' O ' ' A' ' 142' ' ' PHE . 27.1 p90 -66.57 114.22 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 6.2 t -81.51 177.97 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 143' ' ' SER . 30.9 ptt180 -93.15 155.74 40.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 151.92 63.24 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 207' ' ' PRO . . . . . 0.643 ' HB2' ' HE3' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.95 -81.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 208' ' ' THR . . . . . 0.751 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 74.37 -57.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.173 . . . . 0.0 110.399 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 209' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 89.7 152.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 210' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 146.23 32.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 211' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 178.43 7.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 160.47 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -41.01 -41.76 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -63.59 -45.13 91.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.939 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -73.07 -22.25 60.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.247 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.2 tp -60.99 -62.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HB2' HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -48.26 -24.44 1.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 8' ' ' LEU . 4.3 mttt -83.81 -37.21 22.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mtp -64.28 -10.01 21.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -117.84 -86.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t 47.55 30.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.064 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -129.39 -45.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 2.4 m-85 -38.61 154.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' CB ' HG21 ' A' ' 79' ' ' THR . 0.0 OUTLIER -53.02 -45.87 68.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -131.56 71.85 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.56 -54.03 10.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -55.92 -56.26 22.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.232 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -36.6 62.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -69.77 -58.4 3.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.848 ' O ' HG22 ' A' ' 26' ' ' VAL . 38.6 t -51.04 -34.14 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -71.11 -34.93 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -73.68 -37.25 65.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.476 HG23 HD11 ' A' ' 55' ' ' LEU . 11.9 m -69.39 -55.16 11.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.441 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 22' ' ' VAL . 16.0 m -52.65 -42.32 40.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -54.39 -47.23 72.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.672 HG22 ' HG ' ' A' ' 125' ' ' LEU . 43.6 t -56.53 -67.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 33' ' ' LYS . 41.0 pt -54.34 -24.27 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.9 m -76.77 -19.73 57.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.46 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.621 HD23 ' CE1' ' A' ' 32' ' ' TYR . 1.2 tp -94.62 -37.91 11.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.621 ' CE1' HD23 ' A' ' 31' ' ' LEU . 22.5 m-85 -96.38 -58.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER 82.01 1.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.19 -23.73 12.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.607 HD13 HG12 ' A' ' 59' ' ' ILE . 1.2 tp -82.2 163.6 21.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.6 OUTLIER -151.28 130.07 6.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' HG21 ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.05 125.43 9.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.471 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -111.06 157.26 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.675 HD13 ' H ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -113.0 143.69 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.675 ' H ' HD13 ' A' ' 39' ' ' LEU . 1.2 p30 -141.82 145.84 35.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -125.66 106.66 9.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.948 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 1.9 t80 -126.76 168.36 14.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.1 m -89.74 150.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD2' ' HD2' ' A' ' 50' ' ' ARG . 52.9 m-85 -154.26 -66.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.993 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.7 m-20 -51.51 93.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' PHE . 32.0 t0 44.16 27.46 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.89 53.28 2.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -128.63 123.58 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.793 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p -43.34 136.55 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HD2' ' CD2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -149.01 137.07 20.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.426 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -71.52 132.15 44.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.44 HD12 ' CE2' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -140.24 132.26 27.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.84 168.99 10.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' ND2' HG13 ' A' ' 38' ' ' VAL . 4.3 p-10 -172.02 150.29 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.625 ' HB2' HD11 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -100.41 144.5 29.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 36' ' ' LYS . 9.8 t -151.84 153.07 33.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.45 170.76 13.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.5 p -97.97 113.01 24.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 0.769 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.694 HD13 HD11 ' A' ' 132' ' ' ILE . 63.9 mt -81.07 142.13 51.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.691 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.02 91.24 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.47 114.72 51.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.417 ' HA ' ' HG1' ' A' ' 67' ' ' THR . 18.6 Cg_endo -74.87 159.31 41.94 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.77 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.3 -162.59 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -11.45 60.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 66' ' ' ASN . . . 179.47 36.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 5.3 m-80 -163.8 -177.06 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.417 ' HG1' ' HA ' ' A' ' 62' ' ' PRO . 41.1 m -157.25 105.15 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.533 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 7.3 m-85 -93.26 -174.29 3.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -124.53 116.98 23.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.191 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.423 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -111.82 129.31 24.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.822 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.04 145.66 31.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.541 HD11 ' CD2' ' A' ' 135' ' ' PHE . 6.9 mt -152.92 143.61 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.8 t -143.22 133.1 24.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 108.271 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.834 ' O ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -143.89 144.33 31.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.425 ' O ' ' CB ' ' A' ' 84' ' ' PRO . 30.1 m95 -86.1 133.34 33.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 107.954 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -99.04 112.32 24.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mt -66.82 -173.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.566 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 p-10 -77.77 -59.32 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 1.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.463 HD22 HD13 ' A' ' 127' ' ' LEU . 3.6 m120 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.425 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.2 Cg_endo -75.04 114.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -17.72 19.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.607 1.846 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mt -85.91 90.16 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 84' ' ' PRO . 37.4 m -135.38 97.94 3.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -127.81 156.8 41.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 71' ' ' PRO . 8.3 p -84.94 145.31 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 79.3 22.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.48 33.28 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 111.055 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 65.8 p -81.63 -150.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -16.45 12.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.62 5.87 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.06 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.0 mtt -95.63 -169.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 m -150.31 95.73 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.552 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.4 OUTLIER -63.12 139.94 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.601 1.188 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -112.58 123.35 50.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 104' ' ' ASP . 67.0 p -76.36 140.15 41.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -164.49 -155.82 8.59 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.92 -20.94 32.13 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.427 0.722 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.568 ' CE1' HD11 ' A' ' 111' ' ' LEU . 17.8 m-70 -94.67 -38.1 10.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.626 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.462 HG13 ' HA2' ' A' ' 107' ' ' GLY . 50.1 t -119.42 147.97 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.79 ' O ' HG22 ' A' ' 99' ' ' THR . 4.5 t0 -104.63 -54.3 2.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.484 ' O ' HG21 ' A' ' 97' ' ' ILE . . . 179.16 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.52 -7.66 54.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.678 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 83.56 22.76 55.55 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.11 121.7 32.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.9 mt -60.2 130.93 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -89.57 -161.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 102' ' ' HIS . 4.8 mt 68.2 159.97 0.14 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.6 Cg_endo -74.89 -45.53 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 59.94 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 112' ' ' PRO . 2.0 tp -56.83 -33.75 67.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -98.72 23.5 8.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.626 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -122.03 -71.77 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.612 ' CZ2' ' CD2' ' A' ' 119' ' ' HIS . 47.1 t-105 -68.63 -81.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.576 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 41.16 41.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.987 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -52.3 -46.02 94.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.586 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.987 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.95 -49.29 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.047 0.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.2 tm0? 62.77 -62.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.8 t -52.64 161.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 126' ' ' GLY . 67.5 m-20 -134.28 168.74 18.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -40.99 -42.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.672 ' HG ' HG22 ' A' ' 28' ' ' VAL . 6.6 mp -66.87 -48.3 69.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -56.91 -36.52 73.57 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.463 HD13 HD22 ' A' ' 83' ' ' ASN . 5.6 tt -58.47 -57.77 11.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 124' ' ' LEU . 2.5 mp -65.86 -15.79 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.414 ' O ' HG23 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -78.7 -40.67 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.23 -47.79 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.423 ' SD ' ' HA ' ' A' ' 128' ' ' ILE . 11.7 ptp -62.86 -35.95 81.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 59' ' ' ILE . 41.9 mt -65.84 -32.19 57.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 129' ' ' GLN . 33.2 t -70.62 -35.69 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.399 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.562 HG11 ' ND1' ' A' ' 102' ' ' HIS . 25.1 t -81.57 -41.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.541 ' CD2' HD11 ' A' ' 72' ' ' ILE . 4.2 m-30 -73.59 -8.12 54.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -97.11 -31.81 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -77.74 -54.78 5.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 0.799 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.41 153.94 43.22 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.34 3.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.7 9.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.449 1.763 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 97' ' ' ILE . 10.1 p -172.06 55.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 34.7 p90 -54.07 130.08 36.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' B' ' 208' ' ' THR . 0.4 OUTLIER -83.67 173.62 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.009 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.415 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -109.42 157.64 36.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.8 pt-20 -51.39 148.89 8.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.99 -89.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.69 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 80.01 -54.5 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 85.8 150.76 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.516 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.05 137.87 22.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.78 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.533 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.05 172.62 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -93.89 163.12 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 110.237 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' B' ' 212' ' ' GLU . 4.7 pt-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.24 -42.3 73.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -44.8 92.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -39.2 88.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.633 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -55.66 -50.44 70.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -63.73 -25.48 68.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.96 -12.91 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.3 mtm -97.08 15.09 23.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -143.19 -100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.467 ' H ' HG23 ' A' ' 12' ' ' VAL . 3.3 t 70.39 -59.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -44.75 -30.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 2.2 m-85 -55.5 134.56 50.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB2' HG21 ' A' ' 79' ' ' THR . 14.7 tttt -41.78 -51.93 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -126.47 55.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -43.39 -27.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 2.4 t70 -72.58 -58.05 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -37.35 66.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CE2' ' A' ' 15' ' ' TYR . 64.6 m -68.03 -47.71 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.626 ' O ' HG22 ' A' ' 26' ' ' VAL . 2.6 t -57.53 -45.84 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -37.33 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -74.84 -36.24 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.542 HG23 HD21 ' A' ' 55' ' ' LEU . 88.0 m -70.76 -54.56 11.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 22' ' ' VAL . 33.5 m -54.69 -41.31 55.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -54.62 -49.68 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.377 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 29' ' ' ILE . 2.9 t -53.46 -67.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 35' ' ' LEU . 35.1 pt -52.32 -27.95 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.4 m -73.43 -27.47 61.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -84.52 -35.27 23.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.792 ' OH ' HG23 ' A' ' 128' ' ' ILE . 3.1 m-85 -84.88 -60.09 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 86.09 -8.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -113.59 -22.68 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.631 ' O ' HG22 ' A' ' 29' ' ' ILE . 3.9 tp -82.93 131.01 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -115.7 144.16 32.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.562 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.6 Cg_endo -74.89 132.58 15.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.763 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 56' ' ' THR . 0.8 OUTLIER -124.58 151.27 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.607 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -120.13 147.85 44.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.607 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.6 p30 -152.93 141.57 20.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -107.69 110.95 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.539 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 2.3 t80 -113.32 162.51 15.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.534 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 4.8 m -103.17 136.23 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CE1' ' CD2' ' A' ' 42' ' ' TYR . 16.9 m-85 -147.41 -54.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 90.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 52.09 24.32 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.3 35.6 7.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -107.14 128.16 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.996 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -54.36 142.29 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -148.0 156.68 42.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.366 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.33 123.0 29.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.559 HD13 ' C ' ' A' ' 52' ' ' LEU . 3.3 tm? -127.17 128.41 46.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.496 ' HG3' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -90.82 133.88 34.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 5.7 p-10 -144.4 164.16 31.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 37' ' ' PRO . 4.2 mt -122.13 157.88 30.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.528 ' HB ' HG11 ' A' ' 38' ' ' VAL . 1.1 t -156.96 159.09 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 110.365 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 134.89 -179.48 17.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.4 p -100.51 130.24 46.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 110.376 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.469 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 15.4 pt -100.73 147.63 33.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.0 Cg_endo -75.05 94.14 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -95.87 116.02 65.94 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 138.69 23.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -133.17 -179.77 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.403 ' O ' ' NH1' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -68.14 -11.36 59.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.05 -40.01 1.89 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 169.08 -178.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.5 m -91.28 107.88 19.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.379 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.7 m-85 -91.03 -167.65 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -122.78 110.91 16.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.447 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -112.59 127.84 26.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.679 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.0 152.14 40.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.572 1.827 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.446 HG12 HG23 ' A' ' 89' ' ' VAL . 2.4 mt -150.74 158.68 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 53.6 t -139.76 117.24 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.506 ' CD1' ' SG ' ' A' ' 87' ' ' CYS . 3.0 mm? -117.39 144.21 45.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.431 ' CD1' HG22 ' A' ' 86' ' ' ILE . 27.0 m95 -111.66 108.56 18.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 107.989 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.76 HD11 HD21 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -93.95 120.7 34.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.495 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -76.87 -167.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.388 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 4.3 m-20 -83.48 -54.07 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.575 HG21 ' HB2' ' A' ' 16' ' ' LYS . 1.8 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HB3' HD12 ' A' ' 76' ' ' LEU . 18.2 Cg_endo -75.04 113.69 3.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.431 HG22 ' CD1' ' A' ' 75' ' ' TRP . 68.4 mt 49.84 94.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 26.8 m -127.97 119.14 24.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.08 165.44 35.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 107' ' ' GLY . 9.9 p -92.81 149.93 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.44 78.08 27.51 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.96 168.06 25.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.576 1.829 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 18.9 p -82.06 -140.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.07 -41.07 2.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -5.66 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.6 mtt -75.63 -170.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.4 m -151.8 96.07 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.611 HD11 ' CA ' ' A' ' 107' ' ' GLY . 1.3 tt -58.01 151.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -132.75 94.33 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 68.7 p -66.04 147.24 53.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.83 -140.16 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.83 47.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.308 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.434 ' CE1' HG13 ' A' ' 134' ' ' VAL . 11.1 m170 -162.35 -48.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.639 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.8 t -115.0 139.8 39.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.6 t70 -84.92 -67.53 0.79 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 172.47 39.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.05 15.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.801 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 57.78 33.94 69.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.127 . . . . 0.0 111.078 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 141.88 51.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.803 HD11 ' SD ' ' A' ' 131' ' ' MET . 2.8 mt -63.92 134.16 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 111' ' ' LEU . 24.5 t80 -81.12 -55.86 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.423 HD12 ' HE1' ' A' ' 113' ' ' TYR . 4.9 mt -39.78 147.51 0.34 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.3 Cg_endo -75.04 -38.03 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.759 ' OH ' HG21 ' A' ' 134' ' ' VAL . 3.5 m-30 57.33 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER -55.1 -34.75 63.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 29.33 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.638 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -133.07 -67.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.509 ' CD1' ' HB2' ' A' ' 122' ' ' SER . 34.1 t-105 -69.27 -77.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 107.995 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.56 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 39.67 40.63 0.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.153 . . . . 0.0 109.348 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.991 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -52.63 -45.86 96.12 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.991 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.9 -48.37 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.06 -0.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 2.0 tm0? 61.39 -64.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.614 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.9 OUTLIER -54.74 155.27 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 110.037 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 126' ' ' GLY . 27.3 m-20 -133.35 170.72 15.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.76 HD21 HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -46.16 -39.8 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.26 -39.92 95.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -66.43 -52.48 35.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.4 tt -43.07 -54.34 4.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.776 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.792 HG23 ' OH ' ' A' ' 32' ' ' TYR . 1.5 mp -58.5 -36.45 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' GLY . 24.8 tt0 -63.24 -47.08 83.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.666 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.2 t -62.9 -42.17 95.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.803 ' SD ' HD11 ' A' ' 109' ' ' ILE . 4.9 tpp -64.19 -40.6 96.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.5 mt -57.76 -37.98 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.28 -51.59 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.759 HG21 ' OH ' ' A' ' 113' ' ' TYR . 55.8 t -50.33 -51.04 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -95.88 24.92 5.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.29 -9.2 13.46 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -105.47 -53.79 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 0.71 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 16.1 mp0 -101.92 149.84 36.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 138' ' ' GLU . 18.4 Cg_endo -75.01 -27.92 9.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 141' ' ' VAL . 13.1 p -171.22 61.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 21.9 p90 -62.76 131.21 48.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.0 t -94.76 162.92 13.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 143' ' ' SER . 11.7 mtt180 56.81 161.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.22 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 110.953 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 111.042 -0.407 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -52.45 150.67 8.59 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.48 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.94 -87.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.704 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 79.24 -56.22 0.42 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.0 152.37 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.447 ' CD ' HD12 ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.07 140.7 25.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.9 -170.91 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -100.0 -146.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.3 pp20? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -40.17 -44.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.11 -45.01 94.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.2 tp60 -68.42 -34.1 75.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' MET . 1.1 tp -54.5 -51.29 65.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.31 -25.17 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -80.64 -26.13 37.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.36 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.605 ' HB3' HD23 ' A' ' 39' ' ' LEU . 55.0 mtt -67.92 -18.43 64.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.559 HG12 ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.27 -88.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.85 -59.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.82 62.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.747 ' CE2' HG21 ' A' ' 21' ' ' THR . 0.2 OUTLIER -125.35 123.67 39.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.2 OUTLIER -39.85 -52.37 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.46 ' HD2' HG22 ' A' ' 79' ' ' THR . 0.6 OUTLIER -115.74 46.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 22' ' ' VAL . 38.2 ttp180 -43.88 -31.43 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -57.29 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 tp -53.65 -40.13 65.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.747 HG21 ' CE2' ' A' ' 15' ' ' TYR . 99.4 m -64.96 -52.35 56.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.966 ' O ' HG13 ' A' ' 26' ' ' VAL . 13.1 t -57.3 -36.58 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HA ' HG22 ' A' ' 26' ' ' VAL . 3.4 ttt180 -65.34 -29.94 70.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.179 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -75.95 -29.02 58.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.658 HG23 HD21 ' A' ' 55' ' ' LEU . 88.6 m -85.93 -50.4 7.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.966 HG13 ' O ' ' A' ' 22' ' ' VAL . 18.9 m -46.52 -54.59 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.243 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.626 HD21 HD13 ' A' ' 125' ' ' LEU . 3.7 p-10 -62.05 -45.95 91.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.376 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.727 HG13 ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -53.75 -63.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.596 ' N ' HG12 ' A' ' 28' ' ' VAL . 6.0 pt -58.16 -34.03 48.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 18.4 m -73.58 -16.35 61.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.452 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.621 HD22 ' HG ' ' A' ' 125' ' ' LEU . 4.7 tp -88.1 -44.29 11.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.846 ' CZ ' HG21 ' A' ' 128' ' ' ILE . 4.2 m-85 -87.74 -57.22 3.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER 83.66 -3.09 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.388 1.055 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.39 -24.09 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.943 HD13 HG23 ' A' ' 59' ' ' ILE . 2.7 tp -86.79 140.2 29.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 10.4 ttmt -123.72 143.8 42.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.06 130.09 12.89 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.541 1.811 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 39' ' ' LEU . 2.3 p -127.28 164.29 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -128.32 135.29 49.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.48 158.61 43.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -130.48 146.78 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.066 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 1.7 t80 -150.01 156.56 41.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 m -83.41 139.87 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 42' ' ' TYR . 73.5 m-85 -144.35 -67.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.062 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 98.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t0 47.74 27.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.68 50.17 3.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.6 p -114.89 113.1 23.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -62.88 133.06 54.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.83 ' HD2' HD12 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -144.59 148.87 34.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.69 139.24 51.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.83 HD12 ' HD2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -150.2 129.16 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.476 ' CG ' HG13 ' A' ' 12' ' ' VAL . 3.5 mmm -60.83 158.55 12.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 9.0 t30 -167.99 152.93 6.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.658 HD21 HG23 ' A' ' 25' ' ' THR . 1.4 mt -118.65 155.8 30.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.7 t -158.2 150.12 21.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.3 171.83 16.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.403 HG22 ' HB3' ' B' ' 207' ' ' PRO . 35.5 p -102.64 99.11 9.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.741 . . . . 0.0 110.437 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.943 HG23 HD13 ' A' ' 35' ' ' LEU . 4.2 pt -69.43 149.27 97.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.96 90.1 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.054 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -73.86 114.03 28.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.7 41.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.782 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -128.26 -172.57 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -63.0 -12.41 25.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.08 42.26 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -169.37 -179.31 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 0.806 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.6 m -154.45 107.26 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 4.2 m-85 -97.68 -172.82 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -123.16 115.79 22.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -115.25 127.09 27.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.661 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.5 Cg_endo -75.0 145.68 31.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 73' ' ' CYS . 2.7 mt -152.65 161.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 1.1 m -141.89 125.91 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 108.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.753 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -129.74 132.6 46.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.715 ' HE3' HD22 ' A' ' 52' ' ' LEU . 10.4 m95 -95.11 152.67 18.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.986 HD11 HD11 ' A' ' 124' ' ' LEU . 1.2 mp -140.24 135.9 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.82 HD21 HD11 ' A' ' 52' ' ' LEU . 29.3 mt -94.5 -169.38 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.692 ' O ' HG23 ' A' ' 79' ' ' THR . 8.4 p30 -81.96 -51.39 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 78' ' ' ASP . 7.5 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.648 ' HB3' HD11 ' A' ' 114' ' ' LEU . 18.3 Cg_endo -74.98 54.23 3.57 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.413 1.744 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.753 ' O ' HD13 ' A' ' 74' ' ' LEU . 65.1 mt -111.05 85.16 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.667 ' HB2' HD12 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -119.75 125.08 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.528 1.143 . . . . 0.0 108.259 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.68 ' HE1' HG22 ' A' ' 86' ' ' ILE . 2.5 p90 -153.78 148.89 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 107' ' ' GLY . 8.7 p -90.08 151.25 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -123.0 76.39 50.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.605 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.04 168.38 24.93 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.5 1.789 . . . . 0.0 111.038 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.419 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 82.0 p -84.42 -164.03 0.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.44 -16.84 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -97.66 -2.24 41.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.434 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.8 mtt -81.29 -166.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.545 ' C ' HG23 ' A' ' 141' ' ' VAL . 56.6 m -150.13 108.04 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.921 HD11 ' HA2' ' A' ' 107' ' ' GLY . 1.2 tt -76.3 146.35 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -118.24 99.58 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.6 p -72.26 149.85 44.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.32 -138.24 5.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -92.42 47.07 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.654 ' NE2' HG13 ' A' ' 134' ' ' VAL . 12.4 m80 -157.71 -46.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.61 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 104' ' ' ASP . 1.5 t -117.98 177.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.602 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.0 OUTLIER -119.04 -55.04 2.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 168.8 -38.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.64 1.88 52.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.921 ' HA2' HD11 ' A' ' 97' ' ' ILE . . . 96.07 -20.85 48.22 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 128.78 35.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.667 HD12 ' HB2' ' A' ' 87' ' ' CYS . 18.0 mt -57.29 126.16 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -142.53 93.86 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -172.62 161.01 4.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.515 ' N ' HD22 ' A' ' 111' ' ' LEU . 18.1 Cg_endo -75.0 90.74 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.772 ' CE1' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -144.86 -52.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.648 HD11 ' HB3' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -74.26 -26.71 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 38.45 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.561 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.0 -66.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.51 ' CH2' ' CE1' ' A' ' 119' ' ' HIS . 30.6 t-105 -65.21 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.547 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER 43.42 41.05 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.6 -45.99 98.42 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.545 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -75.01 -46.36 0.38 Allowed 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.053 -0.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 26.4 tp60 61.94 -67.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 120' ' ' PRO . 6.2 t -41.89 162.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 124' ' ' LEU . 4.8 m-20 -133.52 170.33 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.986 HD11 HD11 ' A' ' 76' ' ' LEU . 2.0 mm? -39.46 -53.02 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.626 HD13 HD21 ' A' ' 27' ' ' ASN . 0.4 OUTLIER -53.33 -54.49 35.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.48 -41.43 80.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.562 1.164 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.18 -55.75 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.846 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 1.7 mt -62.78 -35.14 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.92 -46.81 88.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.336 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.772 HG11 ' CE1' ' A' ' 113' ' ' TYR . 2.9 t -66.65 -40.44 86.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.527 ' SD ' HD11 ' A' ' 109' ' ' ILE . 5.6 ttm -68.07 -36.38 79.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.539 HD12 HG22 ' A' ' 128' ' ' ILE . 11.0 mt -62.73 -35.2 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 30.8 t -77.39 -33.27 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.654 HG13 ' NE2' ' A' ' 102' ' ' HIS . 38.6 t -74.28 -46.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.03 -4.31 56.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.97 -48.55 2.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -31.23 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -123.88 146.52 51.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 113.9 3.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 18.3 Cg_endo -75.0 -27.74 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.545 HG23 ' C ' ' A' ' 96' ' ' THR . 8.6 p -172.96 57.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.471 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 21.5 p90 -56.38 125.94 24.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -81.16 173.37 12.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.019 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.412 ' N ' ' OG ' ' A' ' 143' ' ' SER . 1.1 ptt85 -120.33 147.99 46.39 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 111.042 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.2 pt-20 -49.14 149.0 3.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' B' ' 208' ' ' THR . 18.2 Cg_endo -75.03 -88.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 79.65 -54.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.444 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.68 150.66 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.562 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.03 134.27 17.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.99 170.59 20.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.808 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.0 OUTLIER -93.66 158.68 15.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -38.86 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.238 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.75 -49.42 77.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.045 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -44.04 91.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.356 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.857 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -57.75 -50.55 72.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -63.74 -29.71 70.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -76.79 -12.82 60.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.84 ' HB3' HD23 ' A' ' 39' ' ' LEU . 35.7 mtp -94.08 -5.58 47.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.682 HG12 ' CE1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -128.83 -103.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER 84.59 -47.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -110.28 63.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.682 ' CE1' HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -122.45 142.37 50.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HG2' HG21 ' A' ' 79' ' ' THR . 0.3 OUTLIER -39.33 -53.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.444 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 94.2 m-85 -136.56 71.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.743 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.4 mtm180 -42.95 -37.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -71.52 -58.17 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 11.7 tp -52.87 -37.33 60.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.228 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.602 HG21 ' CD2' ' A' ' 15' ' ' TYR . 91.3 m -69.02 -51.36 39.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 18' ' ' ARG . 41.4 t -55.39 -47.95 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HA ' HG22 ' A' ' 26' ' ' VAL . 6.7 ttm180 -59.96 -43.31 95.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.71 ' HB3' HD22 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -63.26 -38.04 89.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.446 HG23 HD11 ' A' ' 55' ' ' LEU . 73.5 m -73.12 -62.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 22' ' ' VAL . 14.5 m -48.04 -44.55 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -55.24 -48.82 73.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 24' ' ' GLU . 16.0 t -56.17 -66.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 43.5 pt -54.31 -21.64 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.1 m -81.67 -19.76 40.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.87 -49.36 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.644 ' CE2' HG21 ' A' ' 128' ' ' ILE . 26.5 m-85 -85.51 -61.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 7.3 ttmt 87.36 -8.3 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.424 1.077 . . . . 0.0 109.354 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.43 -22.88 19.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.377 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD11 HG22 ' A' ' 72' ' ' ILE . 2.1 tp -88.2 170.19 11.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -159.61 142.9 10.47 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.93 122.12 7.04 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.576 HG11 ' HB ' ' A' ' 56' ' ' THR . 2.2 p -122.91 165.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.914 HD11 ' HB2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -116.74 154.98 29.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.679 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.5 p30 -147.52 142.65 27.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -113.32 83.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -107.54 148.07 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.041 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 49' ' ' SER . 10.2 m -86.65 143.71 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 42.5 m-85 -144.48 -65.06 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.6 m-80 -57.57 98.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 45.63 26.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 88.27 55.44 2.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 t -122.82 109.32 14.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.436 ' N ' HG12 ' A' ' 43' ' ' VAL . 16.1 m -42.57 144.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -146.03 136.45 23.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.914 ' HB2' HD11 ' A' ' 39' ' ' LEU . 3.4 pm0 -81.25 72.76 8.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.228 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.512 HD22 ' CE3' ' A' ' 75' ' ' TRP . 9.4 tt -76.57 133.79 39.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -81.2 107.51 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.51 ' O ' HD22 ' A' ' 55' ' ' LEU . 4.8 p-10 -109.29 167.14 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD22 ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -116.2 152.97 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.576 ' HB ' HG11 ' A' ' 38' ' ' VAL . 10.5 t -139.89 178.53 7.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.73 176.2 15.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.573 1.17 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 54.3 p -121.3 108.56 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.888 HD12 HG12 ' A' ' 132' ' ' ILE . 46.8 pt -74.97 152.09 86.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.591 1.837 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.491 HG13 ' HA2' ' A' ' 136' ' ' GLY . 3.1 t -105.42 110.04 63.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.36 42.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.79 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.445 ' CB ' ' OD1' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -125.31 -147.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -13.56 59.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.439 ' C ' ' ND2' ' A' ' 66' ' ' ASN . . . 179.72 54.21 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.445 ' OD1' ' CB ' ' A' ' 63' ' ' TYR . 0.9 OUTLIER 171.42 174.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.0 m -143.26 108.2 4.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.533 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 1.7 m-85 -87.0 -166.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -128.61 111.35 13.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.439 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -109.39 130.95 22.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 160.89 39.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.524 1.802 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -145.62 -176.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.515 ' N ' HG23 ' A' ' 72' ' ' ILE . 53.1 t -166.97 114.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -110.44 150.52 28.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.512 ' CE3' HD22 ' A' ' 52' ' ' LEU . 81.2 m95 -112.07 68.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 108.052 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.904 HD11 HD21 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -50.73 112.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.11 -171.29 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.571 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 1.6 m-20 -83.42 -58.7 2.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 79' ' ' THR . 9.4 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.627 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 113.34 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.583 1.833 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.452 ' HG2' HD12 ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.96 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.403 1.739 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.668 ' O ' HD13 ' A' ' 74' ' ' LEU . 3.6 mt -81.45 146.0 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.52 ' HB3' HD13 ' A' ' 109' ' ' ILE . 37.7 m -110.22 127.06 54.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 108.345 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 2.4 m-85 -139.92 170.56 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.974 HG12 ' O ' ' A' ' 107' ' ' GLY . 9.9 p -134.86 145.32 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -122.02 78.0 41.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.525 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -74.93 164.47 33.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.477 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 82.5 p -84.34 -167.86 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.4 m -88.94 -38.56 14.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -17.02 61.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.6 mtt -70.57 179.22 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' HG23 ' A' ' 141' ' ' VAL . 87.3 m -155.04 99.86 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.628 ' N ' HG23 ' A' ' 141' ' ' VAL . 8.6 mt -45.86 150.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -116.71 74.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.438 HG23 HG22 ' A' ' 97' ' ' ILE . 67.3 p -60.23 139.11 57.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 172.4 -134.45 3.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.561 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -91.04 47.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.626 ' HA ' HD11 ' A' ' 111' ' ' LEU . 16.9 m170 -165.04 -59.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.671 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.6 t -101.36 161.59 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.7 OUTLIER -105.73 -66.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.364 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 169.88 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.15 -25.39 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.974 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 113.17 0.99 25.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 7.0 ttpt -99.37 131.41 45.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 87' ' ' CYS . 2.7 mp -56.62 133.78 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.68 ' C ' HD12 ' A' ' 111' ' ' LEU . 18.5 t80 -109.99 82.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.68 HD12 ' C ' ' A' ' 110' ' ' TYR . 4.9 mp -157.71 152.97 21.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 47.28 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -46.75 -35.9 6.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -79.17 -43.68 23.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.5 37.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -126.82 -84.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.436 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 25.7 t-105 -69.08 -81.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.531 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 12.1 ttpp 47.34 43.36 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 1.001 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.95 -45.86 99.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.542 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 1.001 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.95 -43.92 0.63 Allowed 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.064 -0.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 10.4 tm0? 57.6 -74.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 120' ' ' PRO . 3.6 t -36.96 145.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 126' ' ' GLY . 16.2 m-20 -127.43 169.6 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.904 HD21 HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -39.61 -46.41 1.79 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.22 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 125' ' ' LEU . 6.8 mp -64.8 -49.74 69.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -59.73 -30.75 69.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.647 HD23 ' N ' ' A' ' 128' ' ' ILE . 2.5 tt -59.93 -58.2 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.647 ' N ' HD23 ' A' ' 127' ' ' LEU . 2.5 mt -58.39 -23.7 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -41.68 71.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.39 -41.76 91.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.455 ' CE ' ' HB3' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -67.64 -38.7 84.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 111.024 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.888 HG12 HD12 ' A' ' 59' ' ' ILE . 43.2 mt -59.99 -31.38 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.2 t -79.88 -42.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.69 -47.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.696 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 5.5 m-85 -90.62 26.08 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.491 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -119.57 -35.51 0.91 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.71 -70.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.98 166.62 13.11 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.25 3.75 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.696 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.99 -28.99 8.7 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.443 1.76 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.628 HG23 ' N ' ' A' ' 97' ' ' ILE . 11.9 p -170.45 60.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -57.28 136.19 56.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.0 t -98.38 171.53 8.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -93.11 156.29 40.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.937 -0.447 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 pt-20 -50.85 151.98 3.95 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.477 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.6 Cg_endo -74.92 -89.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.447 1.762 . . . . 0.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.737 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.88 -56.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.57 150.74 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.533 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 136.71 20.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.94 176.62 9.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -111.32 168.51 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' B' ' 212' ' ' GLU . 2.0 pp20? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -39.26 -44.67 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -47.43 85.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -71.53 -29.48 64.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.7 tp -55.24 -43.09 74.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.617 ' HE3' HG11 ' A' ' 22' ' ' VAL . 10.7 ttmt -60.14 -24.82 65.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -26.29 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.672 ' HB3' HD23 ' A' ' 39' ' ' LEU . 67.8 mtt -66.88 -15.99 64.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.735 HG12 ' CG ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.51 -87.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 t 41.92 28.49 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.119 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 12' ' ' VAL . 2.3 ttmt -151.95 -45.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.735 ' CG ' HG12 ' A' ' 12' ' ' VAL . 3.2 m-30 -36.7 132.99 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.167 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.82 ' CB ' HG21 ' A' ' 79' ' ' THR . 0.0 OUTLIER -40.29 -54.01 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -108.12 57.59 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -51.46 -47.2 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.84 -56.17 24.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -56.88 -32.08 65.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.21 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.4 m -73.38 -50.76 20.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.747 ' O ' HG22 ' A' ' 26' ' ' VAL . 43.9 t -60.87 -32.62 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 2.7 ttm180 -76.64 -30.18 56.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -78.79 -43.35 25.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 m -65.82 -45.01 83.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 22' ' ' VAL . 35.6 m -64.26 -41.5 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' LEU . 3.7 m-20 -51.95 -47.0 64.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 24' ' ' GLU . 70.2 t -56.77 -69.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.1 pt -53.82 -20.59 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 7.7 m -84.26 -23.85 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' ASN . 3.8 tp -91.51 -50.45 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -95.74 -56.17 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 76.96 17.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.71 -24.05 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.562 HD13 ' CG2' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -74.41 169.53 17.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.361 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.83 115.48 3.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.64 6.16 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -120.65 164.16 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' ' 11' ' ' MET . 0.5 OUTLIER -115.04 140.64 48.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.5 p30 -127.13 159.06 35.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -141.25 120.88 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.064 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -140.84 149.79 42.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 m -80.36 145.51 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.363 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -149.9 -66.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 47' ' ' GLY . 3.7 m-20 -50.74 97.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t0 43.99 27.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 89.08 51.02 3.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -125.49 128.22 47.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p -40.57 151.92 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.23 149.07 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.24 119.45 35.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.32 136.96 32.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.45 ' SD ' ' CD1' ' A' ' 8' ' ' LEU . 4.6 ttp -88.22 174.23 8.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -171.96 145.87 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -103.37 148.44 25.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 t -157.03 135.26 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.62 -171.84 43.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.3 p -119.44 100.91 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.345 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.636 HD12 HG12 ' A' ' 132' ' ' ILE . 13.7 pt -80.17 147.6 65.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 105.15 2.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.438 1.757 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 t -91.13 113.07 57.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 156.53 42.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -127.34 -149.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -12.03 59.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.22 35.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.414 ' C ' ' HG1' ' A' ' 67' ' ' THR . 3.1 m120 -163.7 -177.53 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.414 ' HG1' ' C ' ' A' ' 66' ' ' ASN . 26.0 m -156.28 104.46 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.434 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.3 m-85 -92.27 -165.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.5 122.1 30.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.584 1.177 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -114.45 135.0 22.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.436 ' HG3' ' HE3' ' A' ' 95' ' ' MET . 18.5 Cg_endo -74.97 146.09 32.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.687 HD12 ' SD ' ' A' ' 131' ' ' MET . 5.1 mm -135.25 151.86 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.405 ' HB2' ' CG ' ' A' ' 90' ' ' LYS . 21.4 t -160.6 106.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.282 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -138.22 164.54 28.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.576 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 12.3 m95 -99.71 160.77 14.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.185 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.044 HD11 HD11 ' A' ' 124' ' ' LEU . 2.0 tp -129.45 98.55 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.96 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.583 ' C ' HG22 ' A' ' 79' ' ' THR . 0.5 OUTLIER -92.5 -41.87 10.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.82 HG21 ' CB ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.612 ' ND2' HD12 ' A' ' 127' ' ' LEU . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 113.33 3.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -14.03 21.34 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.649 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 3.0 mm -76.32 105.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.8 m -138.81 114.29 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 108.212 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.649 ' CZ ' HG23 ' A' ' 86' ' ' ILE . 12.3 m-85 -123.93 171.54 9.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.955 HG12 ' O ' ' A' ' 107' ' ' GLY . 11.9 p -115.93 161.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 5.6 mmmt -125.8 74.33 70.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.529 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.96 174.93 11.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 p -110.01 -160.95 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.132 . . . . 0.0 110.432 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.5 p -96.54 -25.34 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -89.6 -5.03 57.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.956 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.6 mtt -82.6 -174.2 5.06 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.446 ' C ' HG23 ' A' ' 141' ' ' VAL . 95.5 m -156.5 105.63 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -56.85 134.75 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -120.46 102.27 8.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 p -84.21 140.24 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.396 1.06 . . . . 0.0 110.35 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 101' ' ' LYS . . . 175.23 56.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 0.1 OUTLIER 79.75 -50.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -65.08 -36.17 83.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.628 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.19 153.39 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.678 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.5 OUTLIER -91.44 -66.89 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 163.92 -31.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -83.35 -7.51 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.955 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 99.84 15.05 32.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -109.61 134.03 52.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.38 138.16 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.412 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 29.2 t80 -113.61 65.74 0.66 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.9 mt -144.04 142.78 20.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.227 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.29 2.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.404 1.739 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -41.4 -49.46 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 83' ' ' ASN . 4.6 tp -69.33 -39.24 78.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.5 37.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.528 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -130.01 -86.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.496 ' CD1' ' HB2' ' A' ' 122' ' ' SER . 36.4 t-105 -71.64 -79.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 107.986 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.562 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.1 pttt 39.54 39.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -53.52 -45.62 98.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.62 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.07 -47.53 0.31 Allowed 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.015 0.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.6 tp-100 62.42 -63.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -54.95 158.49 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 126' ' ' GLY . 2.2 p-10 -132.75 174.44 10.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 1.044 HD11 HD11 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -40.16 -42.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.378 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -59.36 -52.34 66.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -64.77 -37.1 93.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.612 HD12 ' ND2' ' A' ' 83' ' ' ASN . 8.6 tt -48.63 -56.36 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.8 mp -69.08 -31.86 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -54.97 -45.88 75.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.2 t -62.13 -47.4 93.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.687 ' SD ' HD12 ' A' ' 72' ' ' ILE . 42.2 ttm -60.06 -41.94 93.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.636 HG12 HD12 ' A' ' 59' ' ' ILE . 11.3 mt -58.24 -36.68 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.72 -40.56 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 130' ' ' VAL . 86.8 t -65.23 -49.91 76.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 140' ' ' PRO . 2.1 m-30 -88.83 19.44 4.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -113.61 -40.41 1.02 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.424 1.077 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -61.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -104.8 161.15 23.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.25 3.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.567 1.825 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.552 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.97 -23.23 14.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.446 HG23 ' C ' ' A' ' 96' ' ' THR . 7.2 p -176.19 63.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 142' ' ' PHE . 2.1 p90 -58.25 139.36 55.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 1.9 t -105.59 176.05 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.457 ' CD ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -83.63 168.78 20.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 144' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -57.37 151.24 39.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.464 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.97 -84.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.726 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.78 -56.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.431 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.98 152.52 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.447 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.93 136.17 20.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 167.81 26.23 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.3 OUTLIER -93.13 148.31 22.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -50.62 -45.56 57.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -63.13 -53.13 58.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.07 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.81 -28.13 67.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.2 tp -63.71 -43.39 96.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HD2' ' CZ ' ' A' ' 18' ' ' ARG . 5.3 ttpp -62.02 -31.04 71.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -84.43 -12.02 55.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.35 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.451 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 7.7 mtm -85.78 -10.21 55.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -117.18 -98.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.531 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.8 m 58.26 16.64 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.046 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -123.26 14.68 9.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -110.29 154.31 23.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -59.45 5.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' THR . 5.2 m-85 -108.56 69.49 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' CZ ' ' HD2' ' A' ' 9' ' ' LYS . 50.6 ttp180 -51.58 -43.42 62.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.199 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -58.01 8.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -57.04 -30.22 64.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' TYR . 44.8 m -71.18 -47.84 55.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.368 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.732 ' O ' HG22 ' A' ' 26' ' ' VAL . 37.5 t -69.66 -41.37 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -68.03 -30.46 69.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.496 ' HG2' HD22 ' A' ' 124' ' ' LEU . 26.8 tt0 -78.4 -38.07 42.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.508 HG23 HD21 ' A' ' 55' ' ' LEU . 17.9 m -69.56 -48.85 58.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 22' ' ' VAL . 27.7 m -60.56 -37.81 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.539 ' HB3' HD21 ' A' ' 125' ' ' LEU . 8.7 m-20 -58.18 -42.2 85.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.832 HG21 HD23 ' A' ' 124' ' ' LEU . 21.7 t -60.32 -66.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 35' ' ' LEU . 3.8 pt -55.57 -26.64 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.8 m -68.67 -27.58 66.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tp -89.19 -48.12 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.658 ' CE1' HD11 ' A' ' 59' ' ' ILE . 37.7 m-85 -86.52 -65.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 3.5 ttpp 88.27 9.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -110.46 -22.96 11.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.489 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.6 mp -73.76 124.21 25.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -110.08 119.33 47.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.226 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.04 129.21 12.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.95 154.34 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' HB2' ' CE ' ' A' ' 11' ' ' MET . 0.3 OUTLIER -118.38 131.61 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 41' ' ' SER . 13.9 t0 -154.39 148.68 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 7.8 t -117.25 139.99 50.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.7 t80 -135.99 153.66 51.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 m -77.99 139.41 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 26.5 m-85 -144.25 -64.78 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -54.4 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.362 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' PHE . 19.0 t0 50.23 24.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.73 55.52 1.88 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 t -126.49 116.12 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.047 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.5 p -41.88 140.78 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -147.57 136.16 21.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -76.2 117.5 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.342 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.528 HD12 ' HE2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -133.44 149.94 51.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.407 ' HG2' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -95.12 158.34 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 4.1 p-10 -162.12 148.88 13.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.508 HD21 HG23 ' A' ' 25' ' ' THR . 2.0 mt -115.24 152.5 32.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 56' ' ' THR . 0.7 OUTLIER -160.27 117.33 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 110.499 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . -159.18 -179.74 34.22 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 p -110.2 103.49 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.736 . . . . 0.0 110.365 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.058 HD13 HD11 ' A' ' 132' ' ' ILE . 2.4 tt -82.83 142.95 45.7 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 17.9 Cg_endo -75.13 114.6 4.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.57 112.97 65.88 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.56 ' N ' HG23 ' A' ' 67' ' ' THR . 18.4 Cg_endo -74.94 154.22 42.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -133.88 16.21 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 2.9 ttt85 78.12 53.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.67 -31.69 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -139.69 131.52 27.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 62' ' ' PRO . 19.3 m -113.58 101.33 9.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.542 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 6.9 m-85 -76.34 -172.63 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.4 OUTLIER -123.31 114.84 20.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.438 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -113.39 130.95 23.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.626 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.0 Cg_endo -75.09 168.55 24.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.55 160.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.549 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 12.3 t -158.6 118.38 3.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 108.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.595 ' H ' HD23 ' A' ' 74' ' ' LEU . 2.4 pt? -138.46 159.22 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -105.81 158.61 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.642 HD12 ' HG3' ' A' ' 84' ' ' PRO . 4.9 tp -123.76 142.64 50.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.438 HD21 ' HA ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER -111.41 177.88 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -69.96 -63.71 1.03 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.451 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.436 ' OD1' HD11 ' A' ' 114' ' ' LEU . 4.6 t-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.642 ' HG3' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.01 113.0 3.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.819 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.588 ' HA ' HD13 ' A' ' 114' ' ' LEU . 18.3 Cg_endo -74.97 -19.61 17.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.6 mm -69.08 91.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 36.4 m -132.15 102.17 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 5.4 p90 -133.25 155.98 48.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 71' ' ' PRO . 13.6 p -90.7 149.86 3.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.78 79.52 23.72 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -172.59 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.7 p -103.38 -145.65 0.37 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -109.5 -42.81 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.79 -7.99 51.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.536 ' HE1' ' HB2' ' B' ' 207' ' ' PRO . 4.3 mtt -74.33 -175.7 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 m -148.3 94.66 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.568 HD11 ' CA ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -52.09 156.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.7 102.1 7.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 59.1 p -86.19 145.17 27.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.05 -135.34 3.78 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.41 46.1 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.727 ' CD2' HD12 ' A' ' 111' ' ' LEU . 6.8 m170 -161.78 -44.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.661 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -131.41 155.25 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.368 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.2 OUTLIER -98.64 -68.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 175.94 35.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.37 17.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.596 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 69.31 4.64 45.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.571 1.169 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 139.7 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.1 mt -79.49 125.46 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 111' ' ' LEU . 79.9 t80 -85.32 -56.59 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.727 HD12 ' CD2' ' A' ' 102' ' ' HIS . 11.7 mt -39.64 120.77 1.41 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.98 4.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -58.85 -31.15 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.588 HD13 ' HA ' ' A' ' 85' ' ' PRO . 0.7 OUTLIER -72.9 -35.86 67.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 115' ' ' HIS . 15.2 t-80 -91.56 34.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.571 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.68 -66.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 40.0 t-105 -65.31 -78.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.561 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.6 ptmm? 38.81 39.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -53.24 -45.71 98.21 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.638 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.98 -47.82 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.056 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.2 tp-100 62.64 -62.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.6 t -53.68 167.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.047 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -134.09 -179.43 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.832 HD23 HG21 ' A' ' 28' ' ' VAL . 3.1 tp -59.08 -41.69 88.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 27' ' ' ASN . 9.8 mp -66.48 -56.48 10.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.17 -48.13 85.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 tt -47.16 -54.05 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.485 HG22 HD13 ' A' ' 132' ' ' ILE . 72.9 mt -59.03 -33.17 49.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -58.04 -35.44 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.08 -45.47 83.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 8.8 ttm -59.9 -32.12 70.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 1.058 HD11 HD13 ' A' ' 59' ' ' ILE . 1.4 mp -68.89 -41.43 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.4 t -72.14 -32.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 25.1 t -72.86 -46.32 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.412 ' CG ' ' HG3' ' A' ' 140' ' ' PRO . 3.7 m-30 -76.82 -3.62 39.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -96.42 -29.54 8.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.115 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.88 -41.84 28.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.32 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 146.91 54.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 110.287 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 113.12 3.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.412 ' HG3' ' CG ' ' A' ' 135' ' ' PHE . 18.2 Cg_endo -75.04 -23.31 13.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.56 HG23 ' HA ' ' A' ' 97' ' ' ILE . 13.8 p -174.7 63.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 44.8 p90 -65.28 126.78 29.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.5 t -84.95 164.14 18.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 59.72 114.83 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.097 -0.386 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -64.18 149.59 93.92 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.536 ' HB2' ' HE1' ' A' ' 95' ' ' MET . 18.7 Cg_endo -74.92 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.401 1.738 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.699 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 76.81 -54.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.37 149.93 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.542 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 142.25 27.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.446 1.761 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 -170.39 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.79 152.83 37.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.431 ' HB3' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -38.77 -31.23 0.06 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -61.79 -55.41 30.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -66.07 -37.13 85.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.717 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -55.96 -57.57 11.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -26.72 2.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -81.79 -32.63 31.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.669 ' CB ' HD13 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -73.47 -11.27 60.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -114.89 -93.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.535 ' H ' HG23 ' A' ' 12' ' ' VAL . 1.4 t 85.68 -57.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.057 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -125.2 69.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 53' ' ' MET . 5.2 t80 -155.82 120.11 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' CA ' ' O ' ' A' ' 78' ' ' ASP . 14.6 tttt 42.77 32.65 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 20' ' ' LEU . 43.9 m-85 55.1 85.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.69 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.3 ptt180 -42.31 -31.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -68.31 -47.03 68.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' TYR . 2.3 mm? -73.42 -31.86 64.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.3 m -74.92 -59.23 2.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 26' ' ' VAL . 78.6 t -51.24 -35.42 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -71.85 -36.07 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.62 -40.1 43.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -64.51 -52.36 58.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 22' ' ' VAL . 29.2 m -58.04 -43.8 85.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.676 ' HB3' HD21 ' A' ' 125' ' ' LEU . 4.3 m-20 -58.18 -41.26 83.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.79 -66.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' LYS . 18.2 pt -55.53 -26.54 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.8 m -70.67 -25.97 63.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 tp -87.96 -48.27 7.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.453 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 12.8 m-85 -93.42 -61.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 83.9 5.79 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.27 -21.5 13.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.65 153.07 29.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -129.87 123.07 20.79 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.37 5.62 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG13 ' CG ' ' A' ' 54' ' ' ASN . 1.5 p -119.02 163.95 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.823 HD23 ' H ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -132.42 179.1 6.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.823 ' H ' HD23 ' A' ' 39' ' ' LEU . 16.4 p-10 -179.08 150.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.21 105.93 12.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -118.73 149.26 41.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 49' ' ' SER . 15.4 m -78.74 140.58 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -146.07 -59.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' GLY . 36.6 m-20 -55.7 94.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 t70 43.03 28.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.16 63.8 1.25 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.533 1.145 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.37 116.87 10.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 109.977 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.418 ' N ' HG12 ' A' ' 43' ' ' VAL . 2.7 p -40.32 138.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.936 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -143.78 135.54 26.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 2.1 mp0 -76.3 108.47 9.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.409 HD22 ' CE3' ' A' ' 75' ' ' TRP . 6.3 tt -118.06 140.09 50.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.578 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . 4.3 mtp -102.01 138.7 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.574 ' CG ' HG13 ' A' ' 38' ' ' VAL . 6.9 p-10 -132.79 162.74 30.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.557 HD22 ' C ' ' A' ' 54' ' ' ASN . 3.1 mm? -119.32 152.96 35.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -160.37 166.49 29.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 110.368 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 134.78 -178.92 18.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.572 1.17 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 p -114.49 120.46 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 0.804 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.72 HG23 ' HD2' ' A' ' 60' ' ' PRO . 79.8 mt -89.13 142.53 30.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.72 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.07 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.39 115.1 56.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.02 42.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -130.57 -148.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 53.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.25 13.61 7.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.467 ' C ' ' HG1' ' A' ' 67' ' ' THR . 0.2 OUTLIER -147.31 175.77 10.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 0.795 . . . . 0.0 109.253 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.467 ' HG1' ' C ' ' A' ' 66' ' ' ASN . 53.8 m -156.49 107.45 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.449 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.531 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 6.3 m-85 -95.46 -174.93 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -118.0 122.12 42.4 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.581 1.176 . . . . 0.0 109.22 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -116.34 127.74 26.53 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.644 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.96 154.68 42.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 71' ' ' PRO . 12.7 mt -157.46 147.62 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.615 ' O ' HD22 ' A' ' 74' ' ' LEU . 7.1 t -128.43 131.84 48.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 73' ' ' CYS . 4.1 mm? -125.59 131.96 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' A' ' 54' ' ' ASN . 19.5 m95 -102.88 97.64 7.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mp -72.9 134.62 44.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.557 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -80.39 -165.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -99.64 -43.28 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.7 ' OD1' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.416 ' HD2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.98 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.692 ' HB3' HD13 ' A' ' 114' ' ' LEU . 18.4 Cg_endo -74.95 -31.11 6.57 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.9 mt -82.33 106.93 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.555 ' O ' HD12 ' A' ' 109' ' ' ILE . 17.3 m -140.2 110.71 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.283 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 3.0 p90 -141.38 174.38 10.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.6 p -105.7 149.1 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' CG ' ' HB2' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -117.56 80.22 13.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.29 14.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.483 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 77.1 p -90.75 -135.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.3 -43.35 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -10.73 60.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.6 mtt -69.09 -178.28 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.1 m -145.45 105.06 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.27 144.78 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.224 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.32 89.02 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.3 p -65.52 144.02 57.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 174.46 -138.65 4.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -92.39 39.91 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.77 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.459 ' NE2' HG13 ' A' ' 134' ' ' VAL . 15.7 m170 -151.67 -46.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 104' ' ' ASP . 1.9 t -117.62 168.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 9.9 t0 -108.93 -63.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 177.38 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -87.48 11.1 15.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.632 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 82.63 5.88 89.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -77.93 129.12 34.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.761 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 87' ' ' CYS . 30.6 mt -57.52 130.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -93.33 49.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.0 mt -147.14 156.74 46.73 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.3 Cg_endo -75.06 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.581 1.832 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.453 ' OH ' HG12 ' A' ' 130' ' ' VAL . 1.1 m-85 60.72 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.692 HD13 ' HB3' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -61.81 -30.87 71.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -98.33 26.1 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.613 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.7 -70.96 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.486 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 37.3 t-105 -70.68 -79.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.527 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 17.8 ptmt 43.11 42.7 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.972 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -53.97 -46.01 98.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.599 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.972 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.94 -47.13 0.32 Allowed 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.042 -0.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 59.86 -68.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -48.32 160.3 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.052 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 126' ' ' GLY . 7.3 m-20 -133.57 166.65 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.8 tp -43.11 -31.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.676 HD21 ' HB3' ' A' ' 27' ' ' ASN . 6.9 mp -68.09 -50.22 56.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -65.87 -47.45 74.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.7 HD12 ' OD1' ' A' ' 83' ' ' ASN . 4.3 tt -44.15 -51.34 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 64.9 mt -71.62 -27.74 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 133' ' ' VAL . 13.5 tt0 -67.23 -46.63 73.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.453 HG12 ' OH ' ' A' ' 113' ' ' TYR . 17.2 t -59.9 -45.8 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.43 ' SD ' HD11 ' A' ' 109' ' ' ILE . 19.3 ttm -63.24 -41.22 99.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.441 HD11 HD13 ' A' ' 59' ' ' ILE . 36.9 mt -59.49 -27.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 129' ' ' GLN . 73.3 t -79.44 -32.01 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.459 HG13 ' NE2' ' A' ' 102' ' ' HIS . 92.3 t -81.22 -35.15 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.3 m-85 -101.89 18.83 19.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -114.42 -28.69 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.27 -63.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -97.25 162.09 23.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.469 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 18.4 Cg_endo -75.02 -25.8 11.49 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 141' ' ' VAL . 8.3 p -174.97 60.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -57.58 134.62 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 208' ' ' THR . 0.7 OUTLIER -91.46 170.24 10.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -131.24 98.91 18.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.43 1.753 . . . . 0.0 110.958 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . 0.458 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.8 pt-20 -48.52 148.89 3.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.483 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.95 -89.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.427 1.751 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.712 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 78.78 -53.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.96 149.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.344 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.531 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.03 139.2 23.94 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.446 1.761 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.02 -169.43 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.14 161.2 27.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' SER . 18.1 tt0 -38.31 -45.27 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -51.07 71.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -66.1 -37.92 86.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.826 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.3 tp -58.9 -58.42 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -50.17 -32.59 16.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -81.83 -28.13 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.231 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' LEU . 24.6 mtp -76.6 -0.88 24.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.42 -93.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 27.8 t 50.58 24.22 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -131.62 -47.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.211 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 3.3 m-85 -37.49 144.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' CB ' HG21 ' A' ' 79' ' ' THR . 11.9 tttt -55.06 -47.06 75.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.068 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -113.71 51.21 0.87 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.583 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -46.11 -42.81 14.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.84 -57.69 9.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.13 -34.79 66.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.6 m -71.78 -49.67 36.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' ' 26' ' ' VAL . 42.3 t -59.77 -45.38 94.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' HA ' HG22 ' A' ' 26' ' ' VAL . 1.8 ttm180 -60.26 -35.78 76.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.674 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -73.23 -33.94 65.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.538 HG23 HD21 ' A' ' 55' ' ' LEU . 53.0 m -74.48 -52.02 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 22' ' ' VAL . 34.9 m -59.05 -42.35 86.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.435 ' HB3' HD11 ' A' ' 125' ' ' LEU . 11.1 m-20 -56.05 -45.47 79.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 24' ' ' GLU . 40.8 t -57.71 -67.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.402 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 3.4 pt -52.89 -23.63 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.9 m -78.3 -27.73 47.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.457 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 32' ' ' TYR . 1.5 tp -84.67 -46.68 11.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CE1' HD23 ' A' ' 31' ' ' LEU . 32.1 m-85 -103.34 -62.56 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 2.4 ttpp 87.14 7.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.46 -13.61 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.414 ' CD2' HG11 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -82.15 150.86 27.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.01 112.39 18.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -75.0 120.41 6.05 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -121.16 160.65 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -121.76 121.14 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -126.65 155.35 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 11.9 t -140.81 124.19 16.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.5 t80 -129.78 165.25 22.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.503 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 8.8 m -84.72 139.96 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 23.9 m-85 -142.7 -63.76 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.37 96.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 45.35 27.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.6 52.4 2.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.588 1.18 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.34 114.91 21.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 0.741 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.9 p -45.85 133.68 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.13 140.42 37.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.57 120.44 23.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 44' ' ' PHE . 1.5 mt -134.85 118.96 17.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -74.78 153.69 38.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' ND2' HG13 ' A' ' 38' ' ' VAL . 7.2 p-10 -154.11 156.1 36.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.538 HD21 HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -126.4 144.42 50.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -151.59 137.05 17.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.462 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 174.79 178.57 44.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.555 1.159 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.3 p -110.42 101.64 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 110.336 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.74 HD12 HG12 ' A' ' 132' ' ' ILE . 15.6 pt -76.41 148.68 80.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.5 2.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 t -100.99 112.6 65.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 153.5 41.47 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.424 1.75 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -130.04 16.03 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 80.02 60.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.349 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 131.93 -27.72 3.62 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -139.89 140.65 36.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.3 m -121.6 108.7 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.54 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.6 m-85 -85.95 -166.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.3 OUTLIER -126.01 107.19 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -105.16 127.96 27.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.474 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -74.97 153.79 42.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 111.075 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.7 mt -151.68 137.45 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 t -133.46 133.46 42.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.565 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -151.28 154.3 36.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -106.79 146.26 31.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.495 HD12 ' HB3' ' A' ' 84' ' ' PRO . 3.5 tp -114.4 130.12 56.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.07 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.37 -167.55 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.584 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 1.5 p-10 -80.15 -61.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.442 HG21 ' CB ' ' A' ' 16' ' ' LYS . 1.5 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.495 ' HB3' HD12 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.9 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.79 16.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.423 1.749 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.9 mm -95.62 104.0 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.549 ' O ' HG22 ' A' ' 109' ' ' ILE . 53.5 m -143.03 115.35 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 108.281 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.43 ' CB ' ' HA ' ' A' ' 108' ' ' LYS . 9.9 p90 -158.25 147.33 19.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 107' ' ' GLY . 7.6 p -68.16 140.92 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 4.4 ttmt -118.01 79.7 14.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -74.95 -178.29 4.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.537 1.809 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.0 p -97.04 -140.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.9 -37.29 3.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.051 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -77.04 -0.8 25.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.0 mtt -78.42 -167.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.3 m -153.78 83.86 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.493 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -54.72 143.32 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -124.08 115.37 21.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.214 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 104' ' ' ASP . 4.8 p -79.24 148.04 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.37 -149.38 7.3 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.517 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 8.0 mtmt -91.94 38.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 0.811 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.603 ' CD2' HD21 ' A' ' 111' ' ' LEU . 40.1 m170 -144.33 -49.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.505 HG22 ' CZ ' ' A' ' 135' ' ' PHE . 26.2 t -114.15 163.58 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.643 ' O ' HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -95.1 -59.81 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.072 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 170.35 -35.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.63 5.95 25.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.526 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 83.97 11.3 79.26 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -74.98 119.04 18.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 135' ' ' PHE . 0.4 OUTLIER -64.67 125.9 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.61 122.14 17.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.869 ' CD1' HG11 ' A' ' 134' ' ' VAL . 0.2 OUTLIER -165.94 150.24 7.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 42.25 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.57 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.3 p90 -108.05 -41.74 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.066 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.57 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 4.7 tt -54.34 -51.74 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -92.81 42.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.665 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.27 -76.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 38.2 t-105 -57.93 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 107.996 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.577 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 37.58 39.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.991 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -52.45 -45.71 95.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.666 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.991 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.95 -47.09 0.32 Allowed 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.987 -0.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 7.2 tp-100 62.78 -64.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 120' ' ' PRO . 8.6 t -41.71 155.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -128.52 167.76 16.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.426 HD23 HG21 ' A' ' 28' ' ' VAL . 5.3 tp -43.89 -36.97 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 27' ' ' ASN . 7.5 mp -61.25 -59.28 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.31 -36.78 77.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.52 -63.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.469 ' HA ' ' CG ' ' A' ' 131' ' ' MET . 66.6 mt -58.76 -17.0 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -80.62 -41.37 24.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -49.99 81.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 128' ' ' ILE . 9.8 ptp -64.06 -33.77 76.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 59' ' ' ILE . 8.3 mt -64.45 -28.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.71 -36.57 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.869 HG11 ' CD1' ' A' ' 111' ' ' LEU . 70.5 t -75.61 -49.77 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 4.6 m-85 -87.81 17.52 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -109.95 -30.14 3.55 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.64 -64.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.46 158.28 43.39 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.072 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.08 3.71 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.576 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.5 Cg_endo -74.99 -28.57 9.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.568 1.825 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 97' ' ' ILE . 6.9 p -171.33 60.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.482 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 13.9 p90 -60.2 125.34 23.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' B' ' 208' ' ' THR . 1.2 t -83.44 173.03 11.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.4 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -95.52 167.0 13.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.557 1.819 . . . . 0.0 110.972 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.825 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -62.96 148.75 91.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.474 ' CB ' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.02 -83.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.704 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.91 -54.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.467 1.104 . . . . 0.0 110.351 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.74 150.67 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.54 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 137.8 22.35 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.07 -170.93 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.3 OUTLIER -98.31 -145.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.7 ' HA ' HD23 ' A' ' 8' ' ' LEU . 1.1 pt-20 -35.68 -36.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -62.02 -57.94 9.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.16 . . . . 0.0 110.043 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.5 OUTLIER -72.32 -27.1 62.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.188 . . . . 0.0 110.281 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.845 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -62.14 -30.46 71.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.64 -33.72 66.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -85.47 -9.82 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 8' ' ' LEU . 26.4 mtm -84.42 -30.79 25.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.664 HG23 ' H ' ' A' ' 13' ' ' SER . 2.1 m -86.32 -101.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.157 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.664 ' H ' HG23 ' A' ' 12' ' ' VAL . 1.3 p 52.92 22.42 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.41 25.88 7.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.019 ' CD2' HG21 ' A' ' 21' ' ' THR . 17.1 m-85 -120.76 148.28 44.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' CB ' HG21 ' A' ' 79' ' ' THR . 1.3 tptt -42.89 -42.97 3.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 4.9 m-85 -135.99 81.4 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -54.25 -42.57 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -55.4 35.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.43 -36.61 84.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 1.019 HG21 ' CD2' ' A' ' 15' ' ' TYR . 70.2 m -64.09 -48.43 76.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.942 ' O ' HG22 ' A' ' 26' ' ' VAL . 2.8 t -67.22 -39.21 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 13.1 ttt85 -64.15 -32.57 74.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' HB3' HD22 ' A' ' 124' ' ' LEU . 7.5 mm-40 -76.78 -39.24 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.4 m -69.75 -48.14 60.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.436 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.942 HG22 ' O ' ' A' ' 22' ' ' VAL . 25.5 m -63.93 -37.13 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -59.48 -41.18 89.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 t -59.15 -68.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' LYS . 46.6 pt -53.63 -27.2 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.2 m -72.25 -26.03 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.385 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.588 HD13 HD23 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -86.53 -47.0 9.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.463 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 42.1 m-85 -95.09 -63.69 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 16.0 ttmt 85.25 12.95 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.79 -23.92 11.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -79.59 142.48 35.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -119.02 119.03 32.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 129.38 12.23 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.17 144.32 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -98.96 127.45 44.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.538 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -117.56 156.89 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.1 t -147.44 118.25 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -138.09 155.49 48.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 m -81.88 149.73 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -154.3 -64.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -55.25 93.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 48.31 26.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.22 41.16 5.6 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.5 1.125 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 t -112.8 124.95 53.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 0.793 . . . . 0.0 109.992 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.6 p -42.42 145.46 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -138.0 137.31 37.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.9 100.33 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.51 135.13 54.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -100.12 142.64 31.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -139.11 156.06 47.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.7 154.04 37.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.364 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 5.7 t -166.6 135.75 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.461 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.25 -162.68 25.66 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 p -120.23 99.8 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 0.803 . . . . 0.0 110.338 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.597 HG23 ' HD2' ' A' ' 60' ' ' PRO . 39.9 mt -77.47 140.76 64.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.06 112.29 3.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.54 112.04 65.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo -75.02 156.31 42.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 110.953 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 16.66 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.597 1.186 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.1 62.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.19 -30.72 3.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.33 130.37 26.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 69.4 m -113.72 106.28 14.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.4 m-85 -86.82 -166.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.2 OUTLIER -131.27 124.61 30.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -113.52 141.73 26.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.03 145.87 31.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.425 HG13 HD12 ' A' ' 59' ' ' ILE . 7.4 mm -141.1 151.67 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 88' ' ' PHE . 10.6 t -159.71 137.25 9.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.343 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.4 pt? -159.6 165.25 33.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.477 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 29.5 m95 -108.91 146.91 33.0 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 tp -112.61 112.14 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.55 -164.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -86.33 -61.79 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.51 HG21 ' CB ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.393 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -4.61 15.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.559 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 4.5 mm -87.46 112.7 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.401 ' O ' HD12 ' A' ' 109' ' ' ILE . 58.1 m -147.96 117.04 6.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 108.341 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CZ ' HG23 ' A' ' 86' ' ' ILE . 9.8 m-85 -126.92 -174.58 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.049 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.951 HG12 ' O ' ' A' ' 107' ' ' GLY . 11.5 p -130.51 156.22 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 44.9 mmtt -122.54 77.14 46.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.564 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.93 162.05 37.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.473 HG23 ' HE1' ' A' ' 95' ' ' MET . 70.8 p -89.85 -172.18 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -23.66 22.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.54 -17.77 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.474 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.7 mtt -64.06 169.78 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 92.7 m -139.06 86.54 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.561 ' HA ' HG23 ' A' ' 141' ' ' VAL . 1.8 mt -42.8 146.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -120.61 99.08 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.828 HG22 ' O ' ' A' ' 104' ' ' ASP . 20.4 p -64.59 139.17 58.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.09 -148.06 4.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.21 -7.86 52.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.548 ' CE1' HG21 ' A' ' 134' ' ' VAL . 3.0 m-70 -105.57 -65.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.384 1.052 . . . . 0.0 109.594 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 t -78.65 162.62 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.828 ' O ' HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -108.95 -65.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 169.85 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -21.59 61.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.951 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 105.73 6.14 38.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.571 1.169 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.85 124.86 48.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 87' ' ' CYS . 5.8 mt -67.24 149.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -112.07 -33.71 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.498 ' HG ' ' CE1' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -44.09 122.51 4.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 115' ' ' HIS . 18.1 Cg_endo -75.05 58.52 4.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -44.15 -25.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.403 ' N ' ' C ' ' A' ' 112' ' ' PRO . 0.3 OUTLIER -79.74 -44.28 21.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER -97.0 39.79 1.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.605 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.09 -75.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 110.275 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.474 ' CH2' ' CE1' ' A' ' 119' ' ' HIS . 26.9 t-105 -74.29 -80.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.01 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.548 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER 44.03 41.91 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.968 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.1 -45.79 98.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.565 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.968 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.04 -47.82 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.998 0.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 2.0 tm0? 60.47 -68.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -49.84 161.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 127' ' ' LEU . 2.0 m-20 -134.13 172.53 12.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 24' ' ' GLU . 13.5 tp -44.12 -43.68 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 31' ' ' LEU . 9.0 mp -66.28 -46.68 76.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.45 -27.87 72.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.095 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.601 HD23 ' C ' ' A' ' 127' ' ' LEU . 5.2 tt -62.08 -60.38 3.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.472 ' N ' HD23 ' A' ' 127' ' ' LEU . 4.2 mt -59.22 -27.92 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -40.66 90.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.0 t -60.21 -48.13 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.0 ttm -61.46 -36.7 81.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 59' ' ' ILE . 12.2 mt -62.89 -30.3 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.4 t -72.59 -37.65 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 102' ' ' HIS . 20.0 t -78.38 -43.92 26.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.447 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 5.4 m-85 -87.85 17.06 5.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.0 -38.25 1.06 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -65.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.93 160.49 29.04 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.447 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.2 Cg_endo -75.03 -25.63 11.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.561 HG23 ' HA ' ' A' ' 97' ' ' ILE . 7.5 p -174.44 58.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 142' ' ' PHE . 24.7 p90 -57.58 124.99 20.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 5.1 t -91.37 178.16 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.949 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.452 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.4 OUTLIER -89.59 152.71 47.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 111.071 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.7 pt-20 -58.85 152.48 48.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.474 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -75.07 -84.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.73 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.19 -55.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.443 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.86 148.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.564 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 135.4 19.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 168.28 25.18 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.443 1.759 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -86.32 155.4 20.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' SER . 6.2 pt-20 -37.43 -33.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.33 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER -65.34 -56.01 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -64.95 -21.93 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.687 ' O ' HG22 ' A' ' 12' ' ' VAL . 3.5 tp -61.04 -58.26 9.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -28.06 46.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 -20.65 29.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 10.2 mtp -81.64 -29.28 33.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -86.52 -98.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.611 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER 51.96 21.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -118.04 -41.61 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.238 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 3.3 m-85 -52.69 145.73 11.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 3.2 tttp -49.09 -56.76 8.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.421 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 m-85 -112.54 67.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 10.4 ttp-105 -48.89 -46.19 42.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 3.9 p-10 -55.61 -50.49 70.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HB2' ' CB ' ' A' ' 17' ' ' TYR . 8.7 mp -62.45 -35.05 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 25' ' ' THR . 19.7 m -66.13 -55.85 14.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.403 1.064 . . . . 0.0 110.419 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.953 ' O ' HG22 ' A' ' 26' ' ' VAL . 13.8 t -52.27 -45.94 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -42.95 96.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -30.15 64.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 21' ' ' THR . 29.4 m -74.85 -52.54 11.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.953 HG22 ' O ' ' A' ' 22' ' ' VAL . 16.3 m -62.97 -35.19 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -59.24 -47.69 84.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 t -55.37 -67.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.7 pt -53.28 -27.84 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.1 m -72.32 -20.22 61.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tp -91.25 -47.88 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 25.1 m-85 -90.27 -60.24 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 4.1 ttpp 85.98 5.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -111.04 -23.31 11.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.65 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.7 tp -75.84 131.12 39.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -112.98 124.57 31.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.922 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.9 125.54 9.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.495 HG13 ' ND2' ' A' ' 54' ' ' ASN . 1.0 OUTLIER -116.95 157.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -112.64 140.66 47.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.614 ' N ' HD13 ' A' ' 39' ' ' LEU . 2.5 p30 -141.1 158.71 43.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.07 133.12 27.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -149.82 152.23 34.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.469 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 16.3 m -81.91 146.71 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 20.7 m-85 -150.06 -63.77 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 47' ' ' GLY . 6.8 t30 -50.66 94.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' PHE . 14.4 t70 44.67 27.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.71 50.45 2.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -124.93 124.61 42.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.83 146.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.45 139.8 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.79 102.31 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.735 HD21 ' O ' ' A' ' 76' ' ' LEU . 5.2 tt -116.3 129.49 56.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.511 ' HG2' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.6 141.41 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.495 ' ND2' HG13 ' A' ' 38' ' ' VAL . 5.6 p-10 -135.63 165.49 25.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 37' ' ' PRO . 77.7 mt -120.59 158.22 27.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 t -170.53 126.95 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . -174.62 -176.71 43.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.614 1.196 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 24.8 p -111.03 99.34 8.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 0.721 . . . . 0.0 110.465 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.92 HD12 HG12 ' A' ' 132' ' ' ILE . 32.1 pt -74.0 142.97 80.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 17.9 Cg_endo -75.15 107.94 2.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -94.37 123.66 57.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.484 ' CA ' HG23 ' A' ' 67' ' ' THR . 18.2 Cg_endo -75.06 150.16 37.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 66' ' ' ASN . 2.0 t80 -122.19 -148.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -95.24 7.21 46.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.245 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . 169.94 46.49 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 4.3 p30 159.46 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 0.721 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.484 HG23 ' CA ' ' A' ' 62' ' ' PRO . 5.4 m -135.43 120.54 18.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.2 m-85 -89.35 -168.24 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.7 OUTLIER -127.43 108.32 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.468 HD12 ' HD3' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -107.58 128.65 25.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.47 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -75.06 164.12 33.87 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 73' ' ' CYS . 0.0 OUTLIER -163.15 167.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.224 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.513 ' N ' HG23 ' A' ' 72' ' ' ILE . 6.4 t -161.76 145.79 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -163.99 156.56 17.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.722 ' CD1' HG21 ' A' ' 86' ' ' ILE . 13.7 m95 -100.78 154.18 18.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.735 ' O ' HD21 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -114.51 151.8 32.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.755 HD12 ' C ' ' A' ' 83' ' ' ASN . 0.8 OUTLIER -95.63 -170.77 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.33 20.01 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 79' ' ' THR . 52.0 m . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.755 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.518 ' N ' HD12 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.99 150.77 38.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.411 1.743 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.437 ' HA ' HD13 ' A' ' 114' ' ' LEU . 18.1 Cg_endo -75.06 56.08 4.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.722 HG21 ' CD1' ' A' ' 75' ' ' TRP . 14.3 mm -129.79 86.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.7 m -130.29 101.54 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 108.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 8.3 p90 -135.88 163.0 31.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.824 HG12 ' O ' ' A' ' 107' ' ' GLY . 3.3 p -90.17 163.18 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' N ' HG22 ' A' ' 89' ' ' VAL . 6.9 mmtt -125.27 74.43 67.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.96 156.32 43.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.5 p -83.03 -155.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.2 p -100.33 -39.5 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -9.97 59.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.1 mtt -69.82 -175.37 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.487 ' C ' HG23 ' A' ' 141' ' ' VAL . 88.1 m -156.76 108.23 2.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.485 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.639 HD11 ' HA2' ' A' ' 107' ' ' GLY . 1.1 tt -76.57 136.03 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.37 120.85 43.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 104' ' ' ASP . 21.7 p -73.12 140.05 46.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.348 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.68 -156.81 9.87 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 2.8 mtmt -88.21 49.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 12.0 m80 -165.2 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.0 t -126.87 137.37 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.698 ' O ' HG22 ' A' ' 99' ' ' THR . 2.1 t0 -81.55 -66.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 166.27 40.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -134.19 -34.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.824 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 118.63 -6.15 14.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.16 134.07 34.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 0.798 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.6 mt -75.55 130.43 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -86.11 -49.02 8.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 2.1 mm? -40.82 113.75 1.05 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.261 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 56.66 4.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 38.2 m-85 -58.77 -29.84 67.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 85' ' ' PRO . 6.0 tt -73.07 -39.84 65.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -93.56 32.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -123.09 -73.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.442 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.3 t-105 -62.53 -80.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.564 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 14.0 tttp 45.87 43.18 9.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.987 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.51 -45.64 98.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.584 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.987 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 -45.6 0.44 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.997 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.0 tm0? 59.99 -70.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.591 ' N ' ' O ' ' A' ' 120' ' ' PRO . 3.4 t -40.17 159.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -125.36 175.2 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.606 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -55.58 -47.52 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.356 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 125' ' ' LEU . 7.0 mp -55.88 -44.39 78.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.17 -34.94 87.67 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.2 tt -54.36 -59.46 4.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.794 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.1 mp -63.59 -22.54 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.93 -42.43 76.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.2 -45.63 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.26 -40.15 95.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.92 HG12 HD12 ' A' ' 59' ' ' ILE . 32.0 mt -59.19 -31.79 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.4 t -78.14 -47.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.74 -47.89 89.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -90.03 26.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.65 -5.66 10.95 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.47 1.106 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.73 -61.57 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -101.05 157.86 32.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -26.99 10.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.564 HG23 ' CA ' ' A' ' 97' ' ' ILE . 13.4 p -171.65 62.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.577 1.173 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 10.5 p90 -58.73 133.68 56.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.8 t -96.43 175.07 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.432 ' N ' ' OG ' ' A' ' 143' ' ' SER . 3.4 mmt180 -81.88 160.45 63.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 pt-20 -52.05 150.98 7.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.596 1.185 . . . . 0.0 110.362 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.47 ' CB ' ' HG3' ' A' ' 71' ' ' PRO . 18.2 Cg_endo -74.98 -85.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.413 1.744 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.731 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.91 -55.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.24 149.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 138.63 23.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.94 177.3 8.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.443 1.76 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -98.47 158.48 15.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.8 pt-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -44.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.45 -48.03 83.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -71.12 -32.21 68.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -54.39 -38.12 65.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -27.78 69.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -84.26 -19.0 34.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.904 ' HB3' HD23 ' A' ' 39' ' ' LEU . 63.5 mtt -76.12 0.58 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.483 HG23 ' H ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -134.28 -92.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.483 ' H ' HG23 ' A' ' 12' ' ' VAL . 23.1 t 38.45 30.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' VAL . 9.1 mttp -152.46 -45.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.641 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.6 m-30 -37.27 146.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -45.79 -44.43 14.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 9.8 m-85 -132.84 76.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -52.07 -40.39 61.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.28 -57.98 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 17' ' ' TYR . 10.9 mp -53.89 -37.49 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.641 HG21 ' CD2' ' A' ' 15' ' ' TYR . 65.4 m -68.09 -52.7 32.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.656 ' O ' HG13 ' A' ' 26' ' ' VAL . 17.7 t -61.31 -46.69 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HA ' HG22 ' A' ' 26' ' ' VAL . 1.2 tpt180 -60.31 -31.89 70.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -77.53 -43.32 32.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -67.26 -44.53 79.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.452 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.656 HG13 ' O ' ' A' ' 22' ' ' VAL . 19.6 m -66.8 -40.73 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.801 ' HB3' HD11 ' A' ' 125' ' ' LEU . 10.9 m-20 -55.43 -45.22 76.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 24' ' ' GLU . 55.4 t -57.61 -68.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.438 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 26.2 pt -53.41 -21.01 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.3 m -79.96 -30.88 39.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.627 HD23 ' CZ ' ' A' ' 32' ' ' TYR . 2.4 tp -81.71 -52.23 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CZ ' HD23 ' A' ' 31' ' ' LEU . 51.0 m-85 -99.9 -58.48 1.91 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' CA ' ' O ' ' A' ' 29' ' ' ILE . 4.0 ttpp 81.39 20.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 -23.82 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.591 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 3.0 mm? -79.26 178.75 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -159.68 119.39 1.68 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.58 11.61 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.44 156.76 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 11' ' ' MET . 0.4 OUTLIER -105.01 122.19 45.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -124.27 155.48 38.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.426 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 6.4 t -139.67 121.16 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.4 t80 -152.38 156.53 39.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.584 HG12 ' N ' ' A' ' 49' ' ' SER . 12.0 m -80.95 141.61 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.5 m-85 -143.74 -58.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -57.16 88.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PHE . 12.1 t70 50.23 23.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.72 57.78 1.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.405 ' C ' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -131.31 108.83 9.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.584 ' N ' HG12 ' A' ' 43' ' ' VAL . 39.2 m -39.02 132.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.562 ' CZ ' HD11 ' A' ' 77' ' ' LEU . 2.1 ttm-85 -132.01 136.16 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.695 ' CG ' HD11 ' A' ' 39' ' ' LEU . 2.6 tt0 -106.48 130.33 54.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.248 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.828 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -165.39 154.59 12.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.577 ' SD ' HD13 ' A' ' 8' ' ' LEU . 37.5 ttp -83.12 128.36 34.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 55' ' ' LEU . 6.7 t30 -109.56 154.42 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.179 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 35' ' ' LEU . 4.3 mm? -104.32 136.37 44.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.55 137.39 22.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.401 1.063 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 164.46 -167.8 38.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.571 1.169 . . . . 0.0 111.024 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 1.5 p -131.28 106.75 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 110.43 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.657 HD12 HG12 ' A' ' 132' ' ' ILE . 19.3 pt -83.74 148.28 54.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.96 113.05 3.7 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.401 1.737 . . . . 0.0 111.064 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.607 ' C ' HG23 ' A' ' 67' ' ' THR . 2.3 t -106.52 107.43 60.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.66 ' N ' HG23 ' A' ' 67' ' ' THR . 18.6 Cg_endo -74.93 157.03 43.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.758 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.455 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -135.42 15.11 3.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 3.4 ttt180 81.45 59.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.68 -27.55 3.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -143.59 136.77 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' N ' ' A' ' 62' ' ' PRO . 92.4 m -122.13 109.05 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.7 m-85 -85.14 -167.93 2.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.92 117.94 25.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -112.07 139.68 22.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.933 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -74.96 148.15 35.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.393 1.733 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.539 HD12 ' SD ' ' A' ' 131' ' ' MET . 27.2 mm -133.18 137.27 53.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 3.6 t -131.86 118.33 19.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.265 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.76 HD11 ' SG ' ' A' ' 87' ' ' CYS . 1.1 mm? -131.18 124.71 31.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.826 ' CE3' HD11 ' A' ' 52' ' ' LEU . 54.0 m95 -91.11 84.67 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 124' ' ' LEU . 1.5 tp -61.56 94.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.564 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 2.2 mm? -68.25 -170.98 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -102.81 -29.7 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.599 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.02 112.69 3.62 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.663 ' HG2' HD12 ' A' ' 74' ' ' LEU . 18.1 Cg_endo -75.07 -173.52 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.551 ' O ' HD13 ' A' ' 74' ' ' LEU . 7.2 mt -67.79 114.96 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.985 ' SG ' HD21 ' A' ' 127' ' ' LEU . 74.4 m -102.78 112.29 25.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.597 ' CZ ' ' SG ' ' A' ' 73' ' ' CYS . 3.6 p90 -159.51 142.17 13.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 71' ' ' PRO . 7.5 p -83.77 143.38 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -117.23 84.1 16.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 109.322 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.93 177.2 8.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.404 HG23 ' SD ' ' A' ' 95' ' ' MET . 31.8 p -91.26 -159.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.374 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.0 m -99.86 -30.77 11.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.47 4.35 24.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.476 ' HE3' ' N ' ' B' ' 208' ' ' THR . 0.0 OUTLIER -98.16 -168.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.69 ' C ' HG23 ' A' ' 141' ' ' VAL . 93.7 m -152.77 112.47 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.471 ' N ' HG23 ' A' ' 141' ' ' VAL . 2.5 tt -81.51 149.59 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.42 113.2 25.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.5 p -99.92 139.39 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 110.409 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.96 -126.74 1.11 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -93.32 25.46 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.722 ' HA ' HD21 ' A' ' 111' ' ' LEU . 3.9 m170 -135.7 -63.85 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.586 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.596 HG12 ' H ' ' A' ' 104' ' ' ASP . 2.6 t -105.16 174.32 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.596 ' H ' HG12 ' A' ' 103' ' ' VAL . 1.3 t70 -114.6 -54.88 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 172.15 -41.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.84 -5.01 57.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.61 -13.64 61.0 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.585 1.178 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -60.39 131.31 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 25.7 mt -75.2 153.33 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.549 ' C ' HD22 ' A' ' 111' ' ' LEU . 8.5 t80 -144.54 67.94 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.722 HD21 ' HA ' ' A' ' 102' ' ' HIS . 4.4 mm? -125.94 152.08 72.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 53.9 3.48 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 114' ' ' LEU . 4.9 p90 -108.88 -36.92 5.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 113' ' ' TYR . 0.6 OUTLIER -67.35 -39.06 85.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.98 34.51 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.551 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.48 -78.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.234 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 119' ' ' HIS . 4.0 t90 -49.5 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.562 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 6.2 ttmt 39.63 44.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.969 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -55.14 -45.34 99.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.598 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.969 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.12 -44.36 0.57 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.962 -2.516 . . . . 0.0 110.993 0.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 21.4 tp60 58.9 -68.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 120' ' ' PRO . 7.7 t -38.95 157.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -132.07 176.8 8.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.379 1.049 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -52.77 -41.64 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.801 HD11 ' HB3' ' A' ' 27' ' ' ASN . 9.3 mp -59.46 -36.7 76.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -70.36 -56.32 7.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.438 1.086 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.985 HD21 ' SG ' ' A' ' 87' ' ' CYS . 4.3 tt -41.27 -56.3 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.3 mp -57.97 -39.73 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.9 tt0 -60.22 -44.92 94.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.6 t -62.56 -35.23 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.539 ' SD ' HD12 ' A' ' 72' ' ' ILE . 49.3 ttm -73.85 -42.26 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.657 HG12 HD12 ' A' ' 59' ' ' ILE . 32.1 mt -59.58 -26.85 35.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 129' ' ' GLN . 53.7 t -78.65 -48.7 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.35 -41.19 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.533 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 7.2 m-85 -92.09 17.22 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.73 -16.15 7.07 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.428 1.08 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -101.8 -64.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.4 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 0.2 OUTLIER -91.86 156.85 42.23 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.822 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.533 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.97 -27.53 9.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.69 HG23 ' C ' ' A' ' 96' ' ' THR . 6.3 p -171.39 59.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 142' ' ' PHE . 19.2 p90 -58.79 127.34 31.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 1.2 t -89.68 175.58 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 143' ' ' SER . 13.6 mmt85 -122.28 159.81 50.63 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.448 1.762 . . . . 0.0 110.996 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -46.31 151.12 1.01 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.97 -80.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.534 1.807 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 73.95 -57.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.435 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.09 151.64 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.582 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.95 142.4 27.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.02 170.86 19.48 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.551 1.816 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.27 172.57 8.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.537 ' OE2' HD11 ' A' ' 29' ' ' ILE . 49.9 mm-40 -42.72 -45.55 4.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -58.92 -40.4 84.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -76.68 -37.77 55.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.744 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -57.9 -50.64 72.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 18' ' ' ARG . 1.3 ttpt -60.78 -33.36 72.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -81.98 -13.06 57.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.419 1.074 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' GLN . 16.1 mtm -91.68 9.54 31.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -141.64 -99.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.548 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 69.97 -59.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.918 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -46.32 -26.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.662 ' CD2' HG21 ' A' ' 21' ' ' THR . 1.7 m-85 -48.03 125.56 9.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.39 1.056 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.498 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -39.93 -40.67 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 64.3 m-85 -131.31 66.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 4.4 ttp180 -51.39 -54.81 22.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -56.03 -58.23 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.358 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -51.89 -38.98 58.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.662 HG21 ' CD2' ' A' ' 15' ' ' TYR . 98.9 m -68.7 -59.15 3.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.434 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.834 ' O ' HG22 ' A' ' 26' ' ' VAL . 25.3 t -53.9 -41.62 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 35.1 ttp180 -65.81 -32.5 74.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -43.25 31.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.505 HG23 HD21 ' A' ' 55' ' ' LEU . 7.2 m -64.55 -48.81 73.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.834 HG22 ' O ' ' A' ' 22' ' ' VAL . 36.0 m -62.87 -37.52 79.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 10.3 m-20 -55.41 -45.41 76.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.2 t -58.14 -66.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.537 HD11 ' OE2' ' A' ' 5' ' ' GLU . 25.2 pt -55.17 -26.21 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.5 m -75.27 -20.06 59.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -93.64 -48.06 6.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -96.74 -57.09 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' CA ' ' O ' ' A' ' 29' ' ' ILE . 2.0 ttpt 78.84 20.41 0.78 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -110.07 -23.54 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.222 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.562 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 2.9 mm? -75.96 179.83 5.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.94 119.49 2.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HB2' HD22 ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.11 122.42 7.14 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.501 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -124.88 164.15 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.225 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.846 HD13 ' H ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -112.73 155.25 24.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.846 ' H ' HD13 ' A' ' 39' ' ' LEU . 2.9 p30 -148.48 145.08 27.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -121.86 119.08 30.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -133.62 150.97 51.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.3 m -89.37 147.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 48.0 m-85 -150.34 -63.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -52.4 95.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 45.03 27.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 89.75 52.06 2.72 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -125.34 121.19 33.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.9 p -39.08 153.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' TYR . 1.1 ttm180 -147.91 139.05 23.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.13 105.05 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.62 133.37 47.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.679 ' HA ' HD22 ' A' ' 39' ' ' LEU . 2.1 ppp? -91.52 174.9 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 6.8 p-10 -168.48 160.02 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.505 HD21 HG23 ' A' ' 25' ' ' THR . 4.3 mt -114.17 153.45 29.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 t -164.46 141.73 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 172.78 -165.61 38.04 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -126.41 105.96 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.562 ' CG2' ' CD2' ' A' ' 35' ' ' LEU . 38.7 pt -88.35 149.38 44.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.93 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 111.058 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 61' ' ' VAL . 2.2 t -105.31 106.51 56.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.09 36.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -120.49 18.25 12.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.15 . . . . 0.0 111.056 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER 84.09 2.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.237 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.36 -45.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -125.46 141.56 51.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.233 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 m -110.51 103.39 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.49 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.8 m-85 -86.96 -165.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -132.98 118.24 18.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.336 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -110.15 136.04 20.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 18.5 Cg_endo -75.0 150.66 38.5 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.546 1.814 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mm -138.48 152.87 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 90' ' ' LYS . 22.5 t -163.11 109.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.8 pt? -132.52 165.63 23.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.48 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 48.7 m95 -98.76 154.6 17.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.563 HD22 ' SD ' ' A' ' 53' ' ' MET . 1.9 tp -125.85 110.24 13.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.486 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 8.4 mt -55.99 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -143.36 31.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.8 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 127' ' ' LEU . 2.4 t-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 112.83 3.65 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.812 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.694 ' O ' HD13 ' A' ' 86' ' ' ILE . 18.1 Cg_endo -75.04 50.88 2.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.694 HD13 ' O ' ' A' ' 85' ' ' PRO . 17.0 mm -144.96 107.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -129.18 128.03 42.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 108.271 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.664 ' CE2' ' CG2' ' A' ' 86' ' ' ILE . 30.4 m-85 -137.69 169.46 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.968 HG12 ' O ' ' A' ' 107' ' ' GLY . 8.0 p -117.03 167.09 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 71' ' ' PRO . 12.8 mmtm -126.58 72.11 73.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.877 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.01 161.69 38.31 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.451 1.764 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.8 p -103.85 -173.48 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -83.08 -37.86 23.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -6.87 54.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.3 mtt -80.82 -173.95 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.8 m -153.0 104.8 2.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.758 HD11 ' HA2' ' A' ' 107' ' ' GLY . 1.3 tt -70.09 140.07 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.452 ' O ' ' CG ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -120.42 97.02 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 79.2 p -60.01 150.43 29.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 101' ' ' LYS . . . 92.96 169.04 39.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.55 1.156 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 5.8 mtpp 75.84 -49.46 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 0.808 . . . . 0.0 109.242 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.474 ' ND1' HG23 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -172.8 34.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.604 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -155.35 162.97 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.7 OUTLIER -120.44 -67.24 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 171.19 38.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.24 16.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.968 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 63.74 16.81 59.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.48 147.64 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.604 HD13 ' SD ' ' A' ' 131' ' ' MET . 5.6 mt -82.72 139.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.75 -153.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.415 ' HB2' ' NE2' ' A' ' 102' ' ' HIS . 4.5 mm? 65.99 163.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 113' ' ' TYR . 18.0 Cg_endo -75.09 4.99 4.29 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.786 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 112' ' ' PRO . 1.9 t80 -32.19 -47.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.437 HD23 ' SG ' ' A' ' 87' ' ' CYS . 0.9 OUTLIER -74.86 -50.05 18.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 115' ' ' HIS . 15.9 t60 -93.11 47.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.62 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 112' ' ' PRO . 1.3 tt0 -124.08 -71.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 119' ' ' HIS . 3.8 t90 -65.55 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 108.02 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.576 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 38.5 47.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 1.01 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -55.99 -44.58 99.76 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.545 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 1.01 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.0 -51.54 0.16 OUTLIER 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.019 0.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 27.8 tp60 63.38 -64.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.0 OUTLIER -52.61 164.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -134.35 171.56 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -42.88 -57.83 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.35 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 mp -47.19 -61.16 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.212 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.1 -40.2 65.89 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 83' ' ' ASN . 9.2 tt -57.13 -48.47 78.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.4 mm -59.39 -34.97 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -60.71 -46.92 88.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.37 -41.32 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.604 ' SD ' HD13 ' A' ' 109' ' ' ILE . 9.3 tpp -65.46 -36.91 85.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.502 ' CG1' HD12 ' A' ' 59' ' ' ILE . 4.8 mt -60.66 -35.24 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 23.8 t -78.15 -38.11 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.66 -31.92 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 140' ' ' PRO . 2.1 m-30 -111.16 32.87 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -130.84 -47.93 0.13 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -54.78 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -109.21 157.72 36.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.21 3.74 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.433 1.754 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 18.5 Cg_endo -74.9 -28.46 9.34 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.435 1.755 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' A' ' 97' ' ' ILE . 13.8 p -170.19 61.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 32.8 p90 -59.08 129.64 43.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 5.2 t -97.26 177.96 5.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.449 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -62.53 152.31 81.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.962 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 pt-20 -52.66 148.66 12.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.491 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.97 -85.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.723 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.37 -55.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.72 149.23 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . 18.5 Cg_endo -74.91 137.97 22.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 167.38 27.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.0 OUTLIER -85.03 152.56 23.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.7 pt-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.31 -46.22 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -49.18 68.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' MET . 3.0 tt0 -61.22 -25.07 66.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.49 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -67.61 -48.28 67.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HG3' HG21 ' A' ' 22' ' ' VAL . 5.3 ttmt -69.63 -32.66 71.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -12.76 55.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.747 ' CG ' HD23 ' A' ' 39' ' ' LEU . 8.9 ttm -78.7 -12.27 60.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -123.08 -84.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.576 1.173 . . . . 0.0 109.279 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.56 29.6 11.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -143.75 -47.38 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.547 ' HD2' HG21 ' A' ' 21' ' ' THR . 5.4 m-30 -46.75 135.72 8.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.0 OUTLIER -44.26 -57.09 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -94.69 63.9 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -55.88 -29.15 59.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -84.33 -56.93 3.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.461 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 1.8 tp -55.47 -30.61 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.547 HG21 ' HD2' ' A' ' 15' ' ' TYR . 42.2 m -69.84 -56.49 6.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.962 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.5 t -61.27 -42.46 93.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.66 -20.01 64.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.677 ' HB3' HD22 ' A' ' 124' ' ' LEU . 7.8 mt-10 -76.64 -33.69 58.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.299 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.5 m -83.41 -47.54 11.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.962 HG13 ' O ' ' A' ' 22' ' ' VAL . 11.6 m -47.24 -53.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.676 ' OD1' HD21 ' A' ' 125' ' ' LEU . 4.3 p30 -61.58 -44.71 96.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.399 1.062 . . . . 0.0 109.213 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.646 HG13 ' CE2' ' A' ' 32' ' ' TYR . 1.8 t -57.56 -65.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.511 ' N ' HG12 ' A' ' 28' ' ' VAL . 13.5 pt -55.49 -29.01 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.395 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -70.41 -23.36 62.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD23 ' CE1' ' A' ' 32' ' ' TYR . 2.3 tp -88.34 -49.74 6.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.746 ' CZ ' HG21 ' A' ' 128' ' ' ILE . 3.9 m-85 -87.3 -61.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ILE . 5.2 ttpm? 81.73 4.44 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.29 -24.01 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.61 98.76 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 119.52 76.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.506 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -74.98 119.62 5.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -119.78 160.48 20.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.846 HD13 ' N ' ' A' ' 40' ' ' ASP . 2.9 tm? -114.23 143.79 44.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.846 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.5 p30 -132.15 144.09 50.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.2 t -130.08 131.54 45.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.2 t80 -148.16 142.12 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.657 HG12 ' N ' ' A' ' 49' ' ' SER . 19.8 m -77.34 144.75 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.192 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 39.3 m-85 -146.97 -62.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 47' ' ' GLY . 34.0 m-20 -58.05 98.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 47.06 25.93 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 86.6 55.51 2.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' SER . 8.6 t -126.35 113.68 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.657 ' N ' HG12 ' A' ' 43' ' ' VAL . 39.3 m -37.54 144.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.05 137.26 42.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.23 119.59 23.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.48 124.66 15.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.552 ' HA ' HD22 ' A' ' 39' ' ' LEU . 17.6 ptm -96.16 138.59 33.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -129.27 171.77 12.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 37' ' ' PRO . 3.8 mt -128.96 146.39 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.7 t -162.36 131.59 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.45 -173.02 44.24 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.412 HG22 ' HB3' ' B' ' 207' ' ' PRO . 7.6 p -106.33 108.3 19.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.395 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.489 HG22 HG22 ' A' ' 70' ' ' ILE . 0.5 OUTLIER -88.61 145.82 36.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.357 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.05 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.65 111.17 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo -74.98 134.09 17.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.559 1.82 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -128.49 -171.02 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.94 49.03 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.7 -38.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 178.78 -175.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 0.793 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 6.5 m -103.57 109.26 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.581 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.7 m-85 -86.66 -167.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -131.18 116.92 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.489 HG22 HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -112.33 138.89 22.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.849 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.1 Cg_endo -75.06 150.13 37.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' THR . 10.5 mm -138.17 150.98 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.245 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 88' ' ' PHE . 25.8 t -155.39 113.12 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 108.301 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 55' ' ' LEU . 2.5 pt? -141.42 160.92 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -106.47 144.21 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 124' ' ' LEU . 4.7 tp -116.2 116.97 28.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 mp -82.93 -176.44 6.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.483 ' HA ' ' CD2' ' A' ' 15' ' ' TYR . 3.2 m-20 -71.56 -62.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.229 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.475 HG21 ' HB3' ' A' ' 16' ' ' LYS . 2.3 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.438 ' CB ' ' CD ' ' A' ' 84' ' ' PRO . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.568 ' HG3' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.0 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 86' ' ' ILE . 18.5 Cg_endo -74.96 -66.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 85' ' ' PRO . 6.4 mt -31.95 108.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.409 ' HB2' HD12 ' A' ' 109' ' ' ILE . 6.9 p -141.0 134.88 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 108.26 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.537 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 16.7 p90 -172.66 175.14 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 71' ' ' PRO . 2.2 p -126.24 148.49 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 86.43 18.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.49 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -75.03 157.98 42.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.4 p -74.93 176.43 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.349 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.81 -34.07 39.84 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -10.55 59.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.5 mtt -81.72 -169.8 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 97' ' ' ILE . 2.4 m -119.23 -144.29 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.408 ' H ' HG22 ' A' ' 96' ' ' THR . 0.2 OUTLIER 174.17 130.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 122.41 41.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 104' ' ' ASP . 41.7 p -96.56 138.74 33.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.68 -144.13 6.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.99 50.36 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 0.713 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.418 ' HD2' HD13 ' A' ' 111' ' ' LEU . 5.2 m170 -161.88 -50.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.555 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 104' ' ' ASP . 3.8 t -118.94 167.27 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.589 ' O ' HG22 ' A' ' 99' ' ' THR . 1.9 t70 -104.79 -55.55 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.419 1.075 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 171.35 -34.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -92.72 -0.77 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 100.68 -5.51 56.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -68.98 129.45 39.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.656 HD11 ' SD ' ' A' ' 131' ' ' MET . 88.5 mt -68.59 132.94 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -145.85 101.72 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.756 HD21 ' HB2' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -177.34 173.21 0.73 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.305 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 83.17 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.756 ' HB2' HD21 ' A' ' 111' ' ' LEU . 16.0 t80 -126.67 -42.61 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 115' ' ' HIS . 0.3 OUTLIER -75.61 -42.88 50.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.415 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 41.4 t60 -96.68 39.04 1.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.594 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.97 -75.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 118' ' ' LYS . 54.4 t-105 -63.21 -79.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.558 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.6 tttp 37.22 43.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.973 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -53.38 -45.61 98.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.602 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.973 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.0 -49.73 0.22 Allowed 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.954 -0.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.445 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 30.4 tp60 63.55 -64.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 120' ' ' PRO . 16.1 t -39.87 139.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.29 177.87 6.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -44.9 -55.72 5.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.676 HD21 ' OD1' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -46.84 -61.68 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.8 88.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 4.4 tt -41.44 -61.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.746 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 3.0 mp -66.89 -35.13 73.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -56.21 -44.65 79.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 134' ' ' VAL . 37.3 t -67.24 -39.57 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.656 ' SD ' HD11 ' A' ' 109' ' ' ILE . 16.8 tpp -68.75 -41.16 79.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 111.053 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.468 HD12 HG22 ' A' ' 128' ' ' ILE . 29.3 mt -61.4 -31.72 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.1 t -79.82 -50.55 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 130' ' ' VAL . 78.6 t -56.6 -50.96 71.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.446 ' CE1' ' SD ' ' A' ' 131' ' ' MET . 8.1 m-85 -87.94 22.22 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -118.12 -39.41 0.75 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -64.89 -65.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -103.07 164.3 15.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.401 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.4 Cg_endo -74.85 -26.93 10.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 141' ' ' VAL . 14.0 p -171.66 63.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.53 ' O ' ' CD1' ' A' ' 142' ' ' PHE . 23.8 p90 -61.9 132.35 52.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.81 169.58 11.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -93.59 127.5 45.84 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . 0.418 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -52.49 151.26 7.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.1 Cg_endo -75.04 -81.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.578 1.83 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 73.88 -55.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.445 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.35 149.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.581 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.95 135.41 19.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.797 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.95 171.58 18.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -90.5 162.01 15.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.244 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.445 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 3.1 tm-20 -38.48 -32.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 4' ' ' SER . 9.0 t -62.17 -59.22 5.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.65 -26.66 68.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.086 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.66 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -54.33 -61.32 2.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -24.16 4.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.7 -29.23 30.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -76.84 -16.26 59.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -110.17 -95.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.523 ' H ' HG23 ' A' ' 12' ' ' VAL . 57.4 p 56.75 16.83 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -33.78 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.858 ' CD2' HG21 ' A' ' 21' ' ' THR . 4.4 m-85 -50.16 129.0 20.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -34.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' THR . 17.7 m-85 -135.13 63.34 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 9.8 ttp-105 -48.34 -47.39 37.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -56.64 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -28.17 67.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.858 HG21 ' CD2' ' A' ' 15' ' ' TYR . 53.9 m -73.19 -59.14 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.74 ' O ' HG22 ' A' ' 26' ' ' VAL . 25.5 t -59.44 -34.47 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -66.32 -39.56 89.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -34.49 63.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.711 HG23 HD21 ' A' ' 55' ' ' LEU . 2.8 m -68.02 -52.83 31.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 22' ' ' VAL . 27.4 m -62.18 -39.05 82.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' HB3' HD21 ' A' ' 125' ' ' LEU . 7.0 m-20 -53.85 -42.23 68.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.96 -66.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.405 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 20.9 pt -55.21 -23.36 13.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -72.54 -27.17 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.592 HD23 ' CD1' ' A' ' 32' ' ' TYR . 1.3 tt -88.08 -48.15 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.592 ' CD1' HD23 ' A' ' 31' ' ' LEU . 26.6 m-85 -90.55 -64.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 85.46 15.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -109.67 -23.77 11.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.98 174.01 10.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -153.12 121.44 3.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.96 121.86 6.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.562 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -116.36 158.38 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.569 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -110.17 133.82 52.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.569 ' N ' HD13 ' A' ' 39' ' ' LEU . 42.4 p30 -134.75 153.93 51.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -135.9 134.31 38.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.188 . . . . 0.0 109.945 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.5 t80 -147.71 151.19 35.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.411 1.069 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 m -79.58 140.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 29.8 m-85 -144.15 -66.64 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.432 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -49.7 96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' PHE . 8.6 t70 42.9 28.2 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 109.239 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 87.7 63.56 1.4 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -138.75 117.81 12.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 0.741 . . . . 0.0 109.946 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 p -39.99 142.63 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.407 1.067 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.76 135.71 26.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.82 110.89 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.638 HD22 ' HE3' ' A' ' 75' ' ' TRP . 0.7 OUTLIER -123.33 160.18 27.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.55 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.6 ttp -114.73 157.09 23.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.562 ' ND2' HG13 ' A' ' 38' ' ' VAL . 4.7 p-10 -153.15 166.77 31.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.711 HD21 HG23 ' A' ' 25' ' ' THR . 4.7 mt -126.72 154.49 44.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 t -166.09 147.82 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.26 -169.13 39.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.589 1.181 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.625 HG21 ' O ' ' B' ' 205' ' ' PRO . 1.3 p -112.9 115.51 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 110.46 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.692 HG21 HG12 ' A' ' 132' ' ' ILE . 13.6 mt -86.7 133.97 38.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.01 102.99 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.483 1.781 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 67' ' ' THR . 2.2 t -91.91 113.95 60.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 161.39 38.6 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.456 1.766 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 66' ' ' ASN . 0.4 OUTLIER -139.48 -146.73 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.88 53.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . 115.95 26.49 3.26 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.4 m120 -162.81 170.69 17.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 65.8 m -151.45 101.13 2.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 3.5 m-85 -84.03 -170.89 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.18 120.92 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.437 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -108.18 151.55 41.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.762 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.03 148.1 34.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.575 1.829 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.643 HG13 HD12 ' A' ' 59' ' ' ILE . 18.9 mm -145.72 140.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.243 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.593 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 4.2 t -156.78 118.31 3.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -144.49 138.73 27.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.638 ' HE3' HD22 ' A' ' 52' ' ' LEU . 21.6 m95 -79.87 178.82 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.025 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.454 ' O ' HD21 ' A' ' 52' ' ' LEU . 6.2 tp -141.74 129.8 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.381 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.727 HD23 ' HB3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -101.0 -175.88 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.03 -44.62 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.515 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 83' ' ' ASN . 18.1 Cg_endo -75.07 111.27 3.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.727 ' HB3' HD23 ' A' ' 77' ' ' LEU . 18.0 Cg_endo -75.04 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.962 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 73.2 mt -127.86 146.43 33.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 74.0 m -136.39 138.36 41.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.276 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 3.2 p90 -173.84 161.71 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 71' ' ' PRO . 14.8 p -103.02 149.98 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 1.5 mmtp -118.97 79.5 17.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.612 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.4 Cg_endo -74.98 156.92 43.11 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.441 1.758 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 p -73.73 -161.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.7 -29.82 12.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.45 -15.44 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.453 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.5 mtt -62.57 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.1 m -156.39 103.92 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.7 tt -81.54 155.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -131.19 111.48 11.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.178 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.826 HG22 ' O ' ' A' ' 104' ' ' ASP . 34.3 p -65.47 139.38 58.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.31 -154.68 10.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 0.7 OUTLIER -89.7 47.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.634 ' HD2' HD11 ' A' ' 111' ' ' LEU . 19.9 m170 -160.76 -48.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 0.0 109.639 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.2 t -116.67 145.89 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.826 ' O ' HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -86.38 -55.46 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 163.42 -34.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -88.58 -1.57 58.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.467 ' CA ' HG12 ' A' ' 89' ' ' VAL . . . 101.6 -21.65 41.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.32 116.78 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.1 mt -57.56 130.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -102.08 54.95 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.634 HD11 ' HD2' ' A' ' 102' ' ' HIS . 16.0 mt -131.47 160.43 67.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.4 Cg_endo -74.99 -54.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.454 ' OH ' HG12 ' A' ' 130' ' ' VAL . 0.8 OUTLIER 59.71 -77.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 114' ' ' LEU . 5.1 tt -54.05 -44.04 70.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.82 33.73 2.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -130.58 -67.28 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.252 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.0 t-105 -75.42 -81.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.523 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER 46.14 42.77 10.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.232 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.974 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.16 -45.99 98.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.974 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.96 -46.85 0.34 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.029 -0.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 58.1 -72.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -43.49 147.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -133.03 178.25 7.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.65 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -40.18 -49.63 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 27' ' ' ASN . 9.9 mp -61.62 -55.46 30.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -52.63 -41.47 57.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 84' ' ' PRO . 7.7 tt -49.03 -57.13 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.3 mp -63.2 -33.31 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.83 -43.9 91.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.454 HG12 ' OH ' ' A' ' 113' ' ' TYR . 6.5 t -59.94 -44.13 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 22.4 ttm -63.96 -36.15 83.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.692 HG12 HG21 ' A' ' 59' ' ' ILE . 36.9 mt -66.37 -26.88 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 t -79.17 -31.82 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.55 -40.03 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 3.7 m-30 -95.09 21.88 7.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.28 -29.69 2.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.48 -65.8 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 0.73 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.95 163.32 19.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.25 3.75 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.45 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.99 -28.22 9.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.612 HG21 ' HB3' ' A' ' 91' ' ' PRO . 14.7 p -171.95 60.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 41.0 p90 -58.8 132.93 55.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 2.4 t -97.72 175.89 6.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.439 ' N ' ' OG ' ' A' ' 143' ' ' SER . 35.5 ptt85 -88.13 156.99 51.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 110.966 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.625 ' O ' HG21 ' A' ' 58' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -47.12 149.01 1.8 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.453 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.4 Cg_endo -75.0 -83.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.718 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.82 -57.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.88 151.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.528 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 138.88 23.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.05 178.97 6.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -123.23 154.53 38.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.473 ' HB3' HD12 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -35.14 -36.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.341 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER -62.36 -60.5 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -23.02 62.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 4' ' ' SER . 0.1 OUTLIER -61.87 -34.39 75.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.593 ' HG3' HG21 ' A' ' 22' ' ' VAL . 6.8 tmtt? -68.31 -30.5 69.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -85.79 -11.98 52.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.504 ' SD ' ' CB ' ' A' ' 39' ' ' LEU . 2.8 mtm -78.49 -10.45 59.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.532 HG12 ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.85 -93.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.6 28.29 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.32 22.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.532 ' CE1' HG12 ' A' ' 12' ' ' VAL . 3.1 m-85 -107.1 148.23 29.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.577 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -51.71 -24.53 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 0.0 109.368 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 13.6 m-85 -151.46 69.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 111.062 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.0 ttp-105 -59.68 -43.65 93.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 110.23 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.67 -55.34 36.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.02 -32.3 70.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -71.62 -52.36 18.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.669 ' O ' HG13 ' A' ' 26' ' ' VAL . 54.7 t -56.02 -41.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -33.95 72.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.015 ' O ' HG23 ' A' ' 28' ' ' VAL . 13.1 mt-10 -73.96 -43.15 59.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -62.19 -48.99 77.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 22' ' ' VAL . 23.0 m -63.08 -41.21 91.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.483 ' HB3' HD21 ' A' ' 125' ' ' LEU . 88.4 m-20 -62.49 -38.24 89.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.015 HG23 ' O ' ' A' ' 24' ' ' GLU . 79.2 t -61.03 -61.4 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.767 HG22 ' O ' ' A' ' 35' ' ' LEU . 47.7 pt -59.97 -32.12 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.193 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 19.0 m -71.95 -23.34 61.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 32' ' ' TYR . 4.0 tp -85.82 -49.25 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.674 ' CZ ' HD23 ' A' ' 31' ' ' LEU . 31.5 m-85 -104.79 -58.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 86.74 1.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.601 1.188 . . . . 0.0 109.352 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -96.47 -24.15 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.767 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -87.85 96.74 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -82.25 121.18 78.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD3' HG21 ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.06 138.55 23.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.734 HG13 ' OD1' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -138.28 159.77 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.646 HD13 ' N ' ' A' ' 40' ' ' ASP . 1.8 tm? -113.76 135.74 53.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.646 ' N ' HD13 ' A' ' 39' ' ' LEU . 8.4 p-10 -138.93 136.28 35.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 30.5 t -129.76 133.97 47.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 4.0 t80 -164.62 169.12 17.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.5 139.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.8 m-85 -141.79 -62.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.3 m120 -52.13 92.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 25.3 t70 43.09 28.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 93.64 61.27 1.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.68 115.59 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 t -42.21 141.07 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -142.4 140.48 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -110.21 112.02 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.81 HD11 ' CE3' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -149.02 145.23 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.636 ' N ' HD22 ' A' ' 52' ' ' LEU . 27.9 ptm -91.0 149.24 21.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.069 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.734 ' OD1' HG13 ' A' ' 38' ' ' VAL . 6.1 p30 -125.67 165.54 18.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 54' ' ' ASN . 3.8 mm? -118.61 141.56 48.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 t -149.8 144.41 25.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 155.01 -170.5 33.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.8 p -122.87 110.99 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.338 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.1 pt -80.5 146.07 60.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.76 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.614 ' C ' HG23 ' A' ' 67' ' ' THR . 2.5 t -99.61 114.62 65.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.581 ' N ' HG23 ' A' ' 67' ' ' THR . 18.3 Cg_endo -75.01 155.57 42.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.414 1.744 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.458 ' CB ' ' OD1' ' A' ' 66' ' ' ASN . 1.3 t80 -124.69 -147.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -94.59 5.85 50.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.61 41.65 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.458 ' OD1' ' CB ' ' A' ' 63' ' ' TYR . 3.6 p30 168.43 -176.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.614 HG23 ' C ' ' A' ' 61' ' ' VAL . 88.9 m -153.52 113.74 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 0.8 OUTLIER -88.09 -165.28 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.7 OUTLIER -124.83 112.61 16.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -108.29 133.34 20.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.03 164.0 34.17 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.539 HD11 ' SD ' ' A' ' 131' ' ' MET . 0.0 OUTLIER -165.91 167.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 7.6 t -167.99 143.0 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.553 1.158 . . . . 0.0 108.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -150.84 157.71 43.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.81 ' CE3' HD11 ' A' ' 52' ' ' LEU . 16.1 m95 -107.14 100.03 9.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.023 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 124' ' ' LEU . 1.1 tp -68.82 79.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.43 178.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.552 ' C ' HG22 ' A' ' 79' ' ' THR . 20.8 p-10 -70.27 -33.66 71.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.552 HG22 ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 110.416 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.627 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.01 115.85 4.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.446 ' HD2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.96 179.8 5.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.418 1.746 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 7.0 mt -67.39 121.92 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.405 ' HB3' ' HE1' ' A' ' 131' ' ' MET . 93.6 m -113.49 113.33 24.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 6.1 p90 -144.35 135.39 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.817 HG12 ' O ' ' A' ' 107' ' ' GLY . 4.4 p -80.62 148.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -122.78 89.66 50.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.379 1.049 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.536 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.4 Cg_endo -74.94 159.76 41.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.409 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 59.2 p -80.51 -135.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -44.63 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.6 t -74.1 -9.72 58.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 1.9 mtm -81.19 179.19 7.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.755 ' C ' HG23 ' A' ' 141' ' ' VAL . 1.3 t -154.61 126.67 7.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 105' ' ' ALA . 2.0 mt -66.8 150.66 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.44 81.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 104' ' ' ASP . 39.8 p -61.96 138.69 58.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.83 -137.98 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 4.4 mttt -93.5 36.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 10.1 m170 -148.67 -55.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.1 t -111.3 152.02 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.586 ' O ' HG22 ' A' ' 99' ' ' THR . 1.1 t0 -91.71 -65.06 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 174.0 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -9.59 56.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.817 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 94.35 19.87 31.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.74 144.55 31.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.34 141.4 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -94.49 -54.45 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.7 mt -42.63 119.37 2.43 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 53.37 3.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.527 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.2 p90 -65.22 -39.38 92.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.527 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -56.6 -35.09 67.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.435 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 4.3 t-160 -99.09 28.93 4.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -120.11 -73.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 43.6 t-105 -64.75 -80.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.049 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.557 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER 36.53 42.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.997 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -54.58 -45.28 99.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.55 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.997 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.99 -49.8 0.21 Allowed 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.005 0.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.447 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 29.1 tp60 63.33 -65.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 120' ' ' PRO . 5.5 t -44.61 161.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -127.15 173.54 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 76' ' ' LEU . 1.8 tp -50.56 -38.45 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 27' ' ' ASN . 10.1 mp -61.17 -56.55 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.42 -43.46 93.93 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.537 1.148 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.647 HD23 ' C ' ' A' ' 127' ' ' LEU . 3.9 tt -47.29 -64.51 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.55 HG22 ' CD1' ' A' ' 132' ' ' ILE . 4.7 mt -59.11 -30.8 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 132' ' ' ILE . 5.9 tt0 -58.71 -43.72 90.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.578 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.0 t -64.62 -42.3 94.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.539 ' SD ' HD11 ' A' ' 72' ' ' ILE . 17.1 ttm -66.81 -32.83 74.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.55 ' CD1' HG22 ' A' ' 128' ' ' ILE . 24.6 mt -64.16 -36.86 78.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 19.9 t -77.47 -33.96 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 130' ' ' VAL . 60.9 t -71.53 -50.61 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.6 m-85 -90.59 19.38 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.419 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -114.33 -13.44 9.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.77 -60.95 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.79 159.68 28.7 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.405 1.739 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.52 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.1 Cg_endo -75.1 -28.71 8.78 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.755 HG23 ' C ' ' A' ' 96' ' ' THR . 8.1 p -170.11 61.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.415 ' O ' HG22 ' A' ' 96' ' ' THR . 19.0 p90 -57.51 140.78 49.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.4 t -103.13 174.25 5.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.428 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.1 OUTLIER -63.23 148.82 92.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.223 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -54.75 150.02 20.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.98 -87.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.72 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 77.64 -53.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.64 150.53 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.414 ' CD ' HD12 ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.09 144.7 30.25 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.02 -168.55 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -118.43 162.58 18.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.73 -46.0 10.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.74 -37.88 88.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.04 -19.46 51.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.632 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -68.48 -40.89 80.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HG2' ' NH1' ' A' ' 18' ' ' ARG . 18.3 tttt -67.27 -41.48 85.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -79.53 -12.17 59.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.745 ' CG ' HD23 ' A' ' 39' ' ' LEU . 9.0 ttm -78.41 -15.42 58.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -125.15 -96.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.571 ' H ' HG23 ' A' ' 12' ' ' VAL . 12.8 t 55.76 20.13 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.966 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 15' ' ' TYR . 9.1 ttpt -141.66 -45.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 14' ' ' LYS . 2.5 m-30 -34.05 150.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -50.72 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -133.1 58.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.414 ' NH1' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -44.21 -28.7 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -69.5 -55.88 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.5 -40.69 83.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.644 HG23 HD21 ' A' ' 76' ' ' LEU . 53.5 m -62.46 -49.94 73.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.891 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.4 t -59.66 -46.77 92.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 30.3 ttp180 -67.39 -30.29 70.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.4 mm-40 -76.05 -41.83 49.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.625 HG23 HD11 ' A' ' 55' ' ' LEU . 18.7 m -68.47 -55.89 10.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.133 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.891 HG22 ' O ' ' A' ' 22' ' ' VAL . 30.5 m -52.37 -40.11 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.702 ' HB3' HD11 ' A' ' 125' ' ' LEU . 5.3 m-20 -55.53 -47.36 76.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.23 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.587 ' CG2' HD23 ' A' ' 124' ' ' LEU . 67.9 t -56.85 -68.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' LYS . 19.3 pt -52.14 -28.65 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -69.2 -23.12 63.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -46.48 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 74.5 m-85 -92.65 -63.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER 88.04 11.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.91 -20.63 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -80.59 166.33 21.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -154.97 122.18 2.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 128.71 11.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -125.82 161.87 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.745 HD23 ' CG ' ' A' ' 11' ' ' MET . 1.3 tm? -119.82 119.37 33.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.564 ' OD2' ' CH2' ' A' ' 75' ' ' TRP . 42.0 p30 -131.22 160.18 35.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 40.3 t -143.31 127.25 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 6.8 t80 -152.21 162.95 40.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 49' ' ' SER . 10.4 m -78.35 139.52 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 24.1 m-85 -143.72 -67.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -51.38 98.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 t0 50.35 27.31 2.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.1 49.36 5.61 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.1 t -121.29 121.75 38.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 0.735 . . . . 0.0 109.971 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.572 ' N ' HG12 ' A' ' 43' ' ' VAL . 15.7 m -38.21 142.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.409 1.068 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 41' ' ' SER . 5.8 ttm180 -149.52 141.21 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -114.65 136.85 52.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -172.81 152.39 2.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.567 ' HA ' HD22 ' A' ' 39' ' ' LEU . 3.1 ppp? -86.5 139.48 30.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' HD22 ' A' ' 55' ' ' LEU . 7.0 p-10 -125.23 164.28 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 25' ' ' THR . 3.1 mm? -105.04 148.99 26.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' LYS . 3.8 t -153.87 139.66 18.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.43 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 156.77 170.21 21.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.598 HG22 ' HB3' ' B' ' 207' ' ' PRO . 10.8 p -103.45 103.41 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.939 HD13 HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -70.06 138.27 87.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 92.83 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 67' ' ' THR . 2.4 t -77.38 114.09 37.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.11 43.1 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.36 -163.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -12.18 60.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.237 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 66' ' ' ASN . . . -178.43 34.91 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.442 1.088 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 3.2 m120 -164.39 -178.47 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 0.721 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 38.2 m -156.27 107.84 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.585 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.5 m-85 -89.91 -170.74 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -127.7 110.76 12.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -109.17 128.72 24.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.606 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.97 157.8 42.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.747 HD11 ' SD ' ' A' ' 131' ' ' MET . 0.1 OUTLIER -147.21 167.83 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 88' ' ' PHE . 11.8 t -151.96 103.5 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HA ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -102.5 135.83 43.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.564 ' CH2' ' OD2' ' A' ' 40' ' ' ASP . 93.7 m95 -103.68 91.93 4.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.644 HD21 HG23 ' A' ' 21' ' ' THR . 7.5 tp -79.72 98.52 7.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.591 HD22 ' OD1' ' A' ' 78' ' ' ASP . 0.7 OUTLIER -68.62 -158.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.247 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.591 ' OD1' HD22 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -88.11 45.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 79' ' ' THR . 5.5 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.419 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.34 3.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.496 1.788 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.803 ' HB2' HD22 ' A' ' 114' ' ' LEU . 18.2 Cg_endo -75.04 55.56 4.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.445 1.761 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.48 HG22 ' CD1' ' A' ' 75' ' ' TRP . 19.7 mt -117.85 94.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 40.0 m -116.1 131.87 56.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.462 ' HE1' HG23 ' A' ' 86' ' ' ILE . 19.7 m-85 -137.28 173.19 11.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 107' ' ' GLY . 10.0 p -131.2 152.6 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -118.16 80.04 15.09 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -170.25 0.75 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 p -118.69 -139.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.21 -42.87 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.47 -8.14 57.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.536 ' HE3' ' HB2' ' B' ' 207' ' ' PRO . 3.5 mtt -65.74 -173.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.0 m -151.36 86.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.391 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.716 ' HA ' HG23 ' A' ' 141' ' ' VAL . 0.7 OUTLIER -58.39 134.23 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.379 1.049 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 102.03 11.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 72.3 p -82.73 138.06 34.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.07 -136.96 4.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 47.76 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 0.738 . . . . 0.0 109.369 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.749 ' CD2' HD13 ' A' ' 111' ' ' LEU . 3.6 m80 -163.74 -56.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.656 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 104' ' ' ASP . 1.6 t -112.06 170.47 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.7 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -117.68 -58.23 2.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 163.07 -38.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.7 0.79 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.733 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 85.53 23.94 44.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.02 119.14 38.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.47 138.48 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -148.39 100.28 3.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.749 HD13 ' CD2' ' A' ' 102' ' ' HIS . 0.6 OUTLIER -177.26 177.42 0.45 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 115' ' ' HIS . 18.3 Cg_endo -74.99 74.71 3.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.541 ' HB2' HD21 ' A' ' 111' ' ' LEU . 3.4 t80 -117.64 -43.9 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.803 HD22 ' HB2' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -78.77 -41.8 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' A' ' 112' ' ' PRO . 2.0 p-80 -93.5 40.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.33 -71.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.46 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 37.7 t-105 -75.0 -84.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.576 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.8 tttt 44.34 47.33 7.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -51.78 -46.04 91.9 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 109.603 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.04 -51.98 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 120.946 -2.522 . . . . 0.0 110.998 0.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.541 ' CD ' ' C ' ' A' ' 121' ' ' GLN . 0.0 OUTLIER 60.79 -69.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 120' ' ' PRO . 4.7 t -38.41 146.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.06 174.24 6.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.377 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.587 HD23 ' CG2' ' A' ' 28' ' ' VAL . 1.2 tp -47.05 -45.6 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 27' ' ' ASN . 9.6 mp -58.83 -45.98 88.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.25 -34.26 74.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.617 HD23 HG13 ' A' ' 128' ' ' ILE . 1.8 tt -50.87 -60.26 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.784 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.617 HG13 HD23 ' A' ' 127' ' ' LEU . 3.3 mt -61.79 -35.61 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -52.14 -44.9 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 134' ' ' VAL . 93.3 t -60.95 -38.35 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.747 ' SD ' HD11 ' A' ' 72' ' ' ILE . 2.2 ttm -64.89 -43.19 93.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.939 HD11 HD13 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -59.47 -30.17 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 t -77.72 -41.96 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.53 HG13 ' NE2' ' A' ' 102' ' ' HIS . 79.3 t -69.38 -50.38 52.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.614 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 4.2 m-85 -75.02 -6.77 51.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -92.41 -40.19 5.15 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -55.64 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.58 151.46 39.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.614 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.98 -27.84 9.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.716 HG23 ' HA ' ' A' ' 97' ' ' ILE . 13.0 p -173.9 56.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 16.5 p90 -55.89 128.02 33.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' B' ' 208' ' ' THR . 17.7 t -103.04 -177.49 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.937 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.435 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.2 OUTLIER -79.19 154.78 77.26 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.266 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 111.029 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -50.82 151.21 4.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.598 ' HB3' HG22 ' A' ' 58' ' ' THR . 18.2 Cg_endo -75.01 -81.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.494 1.786 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.722 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.44 -56.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.04 149.06 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.585 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.08 139.31 23.93 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.392 1.733 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.98 169.86 21.69 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.81 -151.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.83 ' OE1' HG13 ' A' ' 22' ' ' VAL . 4.6 tm-20 -39.08 -41.96 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -49.05 77.08 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -70.25 -25.44 63.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 1.076 . . . . 0.0 110.332 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.605 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.3 tp -56.3 -60.08 4.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.2 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -51.85 -25.82 8.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -29.26 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -72.22 -19.8 61.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -107.41 -94.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.468 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 55.93 17.58 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -37.78 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.686 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.5 m-30 -48.2 144.7 3.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -44.0 -52.64 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.378 1.049 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 34.3 m-85 -127.2 68.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.35 -36.97 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -54.45 42.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.01 -35.51 71.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.686 HG21 ' CD2' ' A' ' 15' ' ' TYR . 48.0 m -69.39 -55.71 9.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.436 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.83 HG13 ' OE1' ' A' ' 5' ' ' GLU . 39.2 t -52.04 -43.42 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.223 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.447 ' HA ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -64.96 -30.0 70.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.41 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -42.94 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.3 m -66.52 -45.14 80.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 22' ' ' VAL . 26.5 m -63.75 -46.45 94.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.422 ' N ' HG23 ' A' ' 26' ' ' VAL . 8.9 m-20 -47.22 -46.06 23.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 31' ' ' LEU . 38.6 t -57.12 -69.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.5 pt -53.83 -20.62 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' VAL . 14.4 m -81.72 -19.25 41.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -98.29 -53.64 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.92 -51.63 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt 70.97 10.04 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.66 -21.15 13.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.628 HD13 HG22 ' A' ' 59' ' ' ILE . 1.1 mp -75.89 170.27 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.36 113.84 3.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HA ' HD13 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -75.02 120.1 5.92 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -113.81 159.64 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.23 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -116.42 129.5 56.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.556 ' N ' HD13 ' A' ' 39' ' ' LEU . 51.3 t0 -151.82 162.3 41.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.4 t -128.72 133.3 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.1 t80 -121.36 157.36 30.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 m -84.29 142.28 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 43.9 m-85 -145.72 -67.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -51.99 93.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.229 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' PHE . 36.2 t0 46.6 26.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 92.09 51.55 2.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 t -121.51 120.66 35.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 p -45.46 146.09 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.051 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -147.21 136.85 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -75.53 124.92 28.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -150.09 171.43 16.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 ttm -116.64 158.4 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 5.3 p-10 -148.24 158.52 44.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 76' ' ' LEU . 4.3 mm? -117.0 147.45 42.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 t -161.75 143.01 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.75 -169.51 41.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.374 1.046 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 2.1 p -118.34 99.46 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.628 HG22 HD13 ' A' ' 35' ' ' LEU . 7.4 pt -82.29 144.63 50.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.04 113.6 3.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.95 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 61' ' ' VAL . 1.6 t -100.43 108.98 55.61 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.461 ' CA ' HG23 ' A' ' 67' ' ' THR . 18.5 Cg_endo -74.96 149.22 36.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.822 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.511 ' CE1' ' HG2' ' B' ' 210' ' ' PRO . 0.6 OUTLIER -132.91 24.84 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 66.68 83.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.261 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.15 -22.49 10.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.02 170.12 18.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.461 HG23 ' CA ' ' A' ' 62' ' ' PRO . 6.8 m -152.18 107.8 3.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 2.0 m-85 -89.26 -167.52 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.3 OUTLIER -126.46 112.92 16.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.422 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -109.14 143.59 27.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.982 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.0 153.84 42.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.0 mm -142.24 147.03 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.499 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 1.7 t -153.18 130.72 11.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.7 pt? -163.84 156.23 17.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.4 ' CD1' HG21 ' A' ' 86' ' ' ILE . 62.6 m95 -94.81 169.83 9.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 107.975 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.83 HD11 HD21 ' A' ' 124' ' ' LEU . 1.3 tp -126.7 115.52 19.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.59 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -55.81 -169.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.535 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -145.14 24.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 79' ' ' THR . 2.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.696 ' OD1' HD11 ' A' ' 114' ' ' LEU . 4.4 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.522 ' HB3' HD23 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.97 131.54 14.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -2.16 12.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.4 HG21 ' CD1' ' A' ' 75' ' ' TRP . 22.0 mm -86.02 89.55 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.417 ' HB2' HD12 ' A' ' 109' ' ' ILE . 38.7 m -129.42 105.15 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.27 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 23.3 p90 -136.35 140.9 43.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.982 HG23 ' O ' ' A' ' 71' ' ' PRO . 6.1 p -86.96 147.9 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -116.8 83.82 14.81 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.98 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.431 1.753 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.0 p -109.47 -160.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.451 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.83 -29.78 12.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -81.71 -6.48 59.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.1 mtt -82.49 -175.68 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.462 ' C ' HG23 ' A' ' 141' ' ' VAL . 51.3 m -146.15 99.3 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.463 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -67.2 135.04 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.52 129.7 54.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 30.1 p -98.1 139.09 34.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.406 1.066 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.88 -133.33 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.878 ' O ' HD11 ' A' ' 111' ' ' LEU . 3.4 mmtt -96.81 43.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.797 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.835 ' CE1' HG11 ' A' ' 134' ' ' VAL . 8.8 m-70 -160.16 -61.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.061 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 99' ' ' THR . 97.6 t -103.54 137.06 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.8 OUTLIER -89.81 -67.85 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -178.54 54.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -167.44 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.457 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 123.5 -5.88 9.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.52 1.137 . . . . 0.0 111.044 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -76.7 136.0 39.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.417 HD12 ' HB2' ' A' ' 87' ' ' CYS . 17.8 mt -81.39 141.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -137.35 84.27 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.165 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.878 HD11 ' O ' ' A' ' 101' ' ' LYS . 17.3 mt -154.76 142.5 14.04 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.3 Cg_endo -75.07 52.1 2.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.559 1.821 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.676 ' CE1' HD12 ' A' ' 114' ' ' LEU . 9.7 p90 -88.56 -31.82 18.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.696 HD11 ' OD1' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -79.77 -28.32 40.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -96.93 31.49 2.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.586 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.23 -64.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.418 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.2 t-105 -62.92 -80.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.031 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.547 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 5.2 tttt 43.8 41.29 3.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.939 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.2 -46.31 97.88 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.562 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.939 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.02 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.956 0.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.4 tm0? 61.16 -67.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -48.02 152.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.22 176.78 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.83 HD21 HD11 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -48.33 -39.86 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.55 -52.48 65.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.58 -28.91 74.08 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.608 ' C ' HD13 ' A' ' 127' ' ' LEU . 2.8 tm? -62.87 -58.79 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.9 mt -59.57 -23.77 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.98 -43.12 72.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.18 -42.17 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.406 ' SD ' HD11 ' A' ' 109' ' ' ILE . 5.9 mtt -64.22 -37.13 86.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 mt -64.69 -28.5 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.59 -45.05 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.835 HG11 ' CE1' ' A' ' 102' ' ' HIS . 53.4 t -71.8 -50.84 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -70.5 -16.77 62.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.426 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -85.31 -31.89 21.26 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.62 -51.44 5.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 1.0 OUTLIER -106.12 142.27 24.49 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.86 3.66 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.389 1.731 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 138' ' ' GLU . 18.1 Cg_endo -75.02 -29.24 8.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 97' ' ' ILE . 11.1 p -168.87 56.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 36.2 p90 -57.89 123.27 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.0 OUTLIER -81.13 171.08 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.42 125.28 29.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 pt-20 -50.73 148.47 7.13 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' ASN . 18.4 Cg_endo -74.95 -86.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.42 -54.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 85.98 149.81 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.511 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.06 140.41 25.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.95 175.52 11.12 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.82 155.34 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 110.32 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.99 -46.16 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -59.51 -42.66 92.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -77.03 -21.1 55.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.918 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -65.4 -36.32 83.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HE3' ' NH2' ' A' ' 18' ' ' ARG . 54.4 tttt -65.82 -33.28 75.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -11.44 53.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.841 ' CG ' HD23 ' A' ' 39' ' ' LEU . 10.8 ttm -81.04 -29.1 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.656 HG21 ' CG2' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -90.27 -98.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.558 ' H ' HG23 ' A' ' 12' ' ' VAL . 7.4 t 46.68 25.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 110.074 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 12.6 tttp -154.1 57.65 0.72 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.431 ' CE2' HG12 ' A' ' 12' ' ' VAL . 2.2 m-85 -150.33 146.0 26.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HD3' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -43.2 -45.91 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.378 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' CE2' ' HD3' ' A' ' 16' ' ' LYS . 56.7 m-85 -131.65 76.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.418 ' NH2' ' HE3' ' A' ' 9' ' ' LYS . 18.0 ttp180 -59.85 -39.59 85.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -55.77 18.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.36 -35.24 76.9 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -70.39 -56.84 5.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.745 ' O ' HG22 ' A' ' 26' ' ' VAL . 4.0 t -56.7 -28.82 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -32.5 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.219 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -41.05 44.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.589 HG23 HD11 ' A' ' 55' ' ' LEU . 18.4 m -67.42 -50.86 57.55 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.444 1.09 . . . . 0.0 110.451 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 22' ' ' VAL . 31.7 m -57.0 -41.45 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' HB3' HD21 ' A' ' 125' ' ' LEU . 37.0 m-20 -56.01 -42.12 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.454 HG13 ' CE2' ' A' ' 32' ' ' TYR . 22.4 t -61.21 -65.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' LYS . 35.3 pt -56.5 -23.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -71.96 -27.52 62.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -88.52 -45.47 9.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.454 ' CE2' HG13 ' A' ' 28' ' ' VAL . 15.9 m-85 -87.07 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER 83.46 6.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 -24.52 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.35 139.34 45.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -123.45 116.7 28.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' CG ' HD22 ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.0 128.99 11.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -122.16 162.85 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.841 HD23 ' CG ' ' A' ' 11' ' ' MET . 0.9 OUTLIER -113.74 140.66 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.633 ' N ' HD13 ' A' ' 39' ' ' LEU . 45.1 p30 -143.53 152.27 41.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.7 t -133.64 119.67 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.087 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.1 t80 -129.69 162.17 28.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.43 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 3.4 m -82.75 135.15 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.729 ' CE2' HD12 ' A' ' 52' ' ' LEU . 24.0 m-85 -139.68 -62.08 0.53 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -56.23 92.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 46.3 27.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.88 61.38 1.36 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.39 111.78 9.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 110.054 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.63 135.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -142.98 137.19 29.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.48 128.11 35.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.729 HD12 ' CE2' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -143.7 147.46 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.37 155.6 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.493 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.8 p-10 -152.12 146.62 25.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.589 HD11 HG23 ' A' ' 25' ' ' THR . 0.5 OUTLIER -99.19 142.88 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 t -156.25 135.8 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.86 -176.21 43.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.59 HG21 ' O ' ' B' ' 205' ' ' PRO . 3.0 p -107.48 110.14 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.508 HG23 ' HD2' ' A' ' 60' ' ' PRO . 8.6 mt -85.66 137.28 36.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.508 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.97 111.37 3.31 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.26 115.29 60.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo -74.94 134.77 18.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.36 -174.8 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 48.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.55 -35.8 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -175.33 -175.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.739 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 60.7 m -114.23 104.37 12.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 3.3 m-85 -81.7 -167.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.1 OUTLIER -130.88 118.59 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 109.38 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.402 HD12 ' HD3' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -108.28 141.83 24.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.773 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.02 146.49 32.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.641 HD12 ' SD ' ' A' ' 131' ' ' MET . 14.0 mm -136.43 150.44 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.564 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 42.5 t -154.33 127.81 8.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 108.277 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.9 pt? -159.65 145.25 15.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.538 ' CE3' HD13 ' A' ' 52' ' ' LEU . 32.3 m95 -83.78 -178.98 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 107.969 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.995 HD11 HD21 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -150.64 106.03 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt -76.8 -167.59 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -85.88 -58.89 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.686 ' HG3' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -74.97 124.13 8.41 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -12.47 21.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.812 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.401 HG21 ' CD1' ' A' ' 75' ' ' TRP . 4.2 mp -90.48 98.4 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.3 m -132.08 117.11 17.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 108.31 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' SG ' ' A' ' 73' ' ' CYS . 49.1 p90 -152.33 159.59 43.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.146 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.935 HG12 ' O ' ' A' ' 107' ' ' GLY . 13.3 p -97.7 146.59 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.05 81.67 28.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.515 ' CB ' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -74.96 156.48 43.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.8 p -71.59 -167.11 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -33.51 13.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.959 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.62 -17.92 59.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.0 mtt -63.66 -171.84 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.2 m -145.22 106.25 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.62 131.77 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.06 89.15 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.2 p -65.18 141.86 58.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.81 -148.38 8.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.584 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 0.0 OUTLIER -90.16 45.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 0.768 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 14.3 m170 -153.51 -50.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.568 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 104' ' ' ASP . 19.4 t -111.22 166.67 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.644 ' O ' HG22 ' A' ' 99' ' ' THR . 0.6 OUTLIER -100.84 -61.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 177.42 -36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.84 -18.1 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.23 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.935 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 115.6 -5.11 21.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 137.85 45.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.6 mt -68.96 122.93 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.536 ' O ' HD22 ' A' ' 111' ' ' LEU . 20.0 t80 -105.96 35.76 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 1.0 OUTLIER -117.43 121.95 31.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.83 4.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 27.9 m-85 -70.67 -20.12 62.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.7 tp -79.81 -31.42 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.232 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.99 20.31 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -115.88 -75.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 44.7 t-105 -62.59 -78.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 108.048 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.547 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 39.51 39.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.961 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -52.52 -46.22 95.42 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 109.56 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.961 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.99 -45.37 0.46 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.023 -0.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 25.5 tp60 60.53 -66.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 120' ' ' PRO . 8.2 t -40.77 157.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.941 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 126' ' ' GLY . 51.3 m-20 -131.25 167.56 19.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.995 HD21 HD11 ' A' ' 76' ' ' LEU . 4.1 tp -43.35 -39.64 3.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 27' ' ' ASN . 7.8 mp -62.68 -46.47 88.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -70.24 -21.76 77.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.29 -61.02 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 124' ' ' LEU . 4.8 mp -63.78 -38.97 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.12 -46.43 68.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.0 t -65.22 -35.54 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.641 ' SD ' HD12 ' A' ' 72' ' ' ILE . 52.1 ttm -69.95 -34.3 73.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.6 -31.95 54.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.9 t -76.29 -32.86 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 130' ' ' VAL . 72.6 t -77.19 -39.44 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.2 m-85 -103.81 32.5 3.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -123.49 -39.45 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.13 -50.88 14.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -106.0 155.52 38.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.562 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -75.08 -26.72 10.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.515 HG21 ' CB ' ' A' ' 91' ' ' PRO . 14.9 p -173.01 61.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 16.8 p90 -59.35 129.54 42.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 6.4 t -98.11 178.28 5.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' OG ' ' A' ' 143' ' ' SER . 6.4 ppt_? -64.66 155.5 81.65 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.04 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . 0.59 ' O ' HG21 ' A' ' 58' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -49.59 149.17 4.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.45 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.4 Cg_endo -74.97 -85.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.555 1.818 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.738 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.39 -55.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.382 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.62 148.34 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.576 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 137.61 21.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.447 1.762 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 -176.5 2.92 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -104.55 158.58 16.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.1 pp20? . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 4' ' ' SER . 3.8 m -71.94 -55.88 6.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -31.22 70.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 12' ' ' VAL . 2.7 tp -56.31 -51.91 66.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -26.47 64.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -13.06 55.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 39' ' ' LEU . 28.0 mtm -91.34 -13.69 32.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -109.82 -100.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.509 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER 53.44 23.4 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -129.3 -45.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.469 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.7 m-85 -37.58 142.32 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.899 ' HB2' HG21 ' A' ' 79' ' ' THR . 0.6 OUTLIER -55.83 -25.33 41.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -140.1 61.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 10.1 ttp-105 -49.18 -47.15 46.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -59.75 -54.08 50.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.21 -42.75 77.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.614 1.196 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 15' ' ' TYR . 85.7 m -64.61 -57.15 9.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.987 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.5 t -54.29 -43.47 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.495 ' HA ' HG22 ' A' ' 26' ' ' VAL . 12.9 ttt-85 -60.1 -27.96 67.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.3 mt-10 -78.16 -29.05 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.1 m -87.45 -44.9 10.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.987 HG13 ' O ' ' A' ' 22' ' ' VAL . 9.5 m -51.42 -52.8 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.703 ' ND2' HD13 ' A' ' 125' ' ' LEU . 5.1 p-10 -64.21 -46.82 82.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 24' ' ' GLU . 2.8 t -53.7 -61.68 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 25' ' ' THR . 10.3 pt -59.12 -31.5 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 12.1 m -76.39 -16.14 59.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.19 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.596 HD23 ' CE1' ' A' ' 32' ' ' TYR . 4.5 tp -89.84 -43.17 10.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.231 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.596 ' CE1' HD23 ' A' ' 31' ' ' LEU . 8.9 m-85 -99.37 -56.64 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' ILE . 1.0 OUTLIER 78.81 2.73 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -106.26 -20.75 13.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.52 HD13 ' CG2' ' A' ' 59' ' ' ILE . 1.1 tp -85.67 137.92 32.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -119.43 115.77 33.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 122.91 7.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.2 m -117.49 154.89 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.438 ' C ' HD13 ' A' ' 39' ' ' LEU . 1.4 tm? -106.13 115.1 29.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -107.22 152.92 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 27.7 t -153.51 109.19 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.595 1.184 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.1 t80 -143.31 168.52 19.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.673 HG12 ' N ' ' A' ' 49' ' ' SER . 13.8 m -83.88 141.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.4 m-85 -145.6 -65.15 0.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -52.93 97.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t70 50.11 25.85 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.28 55.09 3.15 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -128.72 121.44 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 0.735 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.673 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -39.76 140.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.622 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 7.4 ttm180 -146.2 135.94 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 1.1 tt0 -97.23 143.34 28.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.063 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -174.33 146.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.98 134.84 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.598 ' C ' HD22 ' A' ' 55' ' ' LEU . 4.6 t30 -116.82 157.95 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.598 HD22 ' C ' ' A' ' 54' ' ' ASN . 1.2 mm? -114.69 139.38 49.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -146.94 157.15 43.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.79 -165.47 25.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 11.2 p -126.22 133.66 51.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.658 HD12 HG12 ' A' ' 132' ' ' ILE . 39.4 pt -106.42 149.39 38.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.59 3.83 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.437 1.757 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.623 HG13 ' HA2' ' A' ' 136' ' ' GLY . 2.4 t -109.77 109.76 59.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.04 40.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.92 -149.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -21.84 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 66' ' ' ASN . . . 176.23 37.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.417 ' CG ' ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -164.26 135.72 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.4 m -111.04 103.03 11.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.3 m-85 -88.04 -165.24 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.1 OUTLIER -130.67 117.73 19.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -109.87 149.73 40.38 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.394 1.059 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.621 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.06 150.42 37.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.436 HD12 ' SD ' ' A' ' 131' ' ' MET . 20.8 mm -143.03 138.79 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.753 ' O ' HD22 ' A' ' 74' ' ' LEU . 12.1 t -140.35 125.73 18.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.753 HD22 ' O ' ' A' ' 73' ' ' CYS . 4.0 mm? -134.86 125.41 26.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -93.18 84.29 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.542 HD11 HD11 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -70.39 102.78 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.622 HD21 ' CZ ' ' A' ' 50' ' ' ARG . 4.7 mt -67.96 -176.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.1 OUTLIER -74.45 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.899 HG21 ' HB2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.453 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 113.29 3.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.659 ' HA ' HD11 ' A' ' 114' ' ' LEU . 18.1 Cg_endo -75.01 -43.88 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.446 1.761 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.59 104.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 61.4 m -138.51 116.49 11.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 108.381 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 73' ' ' CYS . 13.8 p90 -159.95 173.19 16.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -105.26 154.52 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 9.8 mmtt -118.63 85.23 26.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -75.0 177.74 8.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.437 1.756 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.6 p -97.37 -163.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.91 -37.47 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -11.41 60.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.177 . . . . 0.0 109.95 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.1 mtt -71.14 -173.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.073 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.436 ' HG1' ' C ' ' A' ' 95' ' ' MET . 24.9 m -152.68 103.85 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.77 HD13 ' O ' ' A' ' 105' ' ' ALA . 0.4 OUTLIER -72.5 144.4 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -119.81 100.89 7.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 104' ' ' ASP . 24.0 p -66.1 139.28 58.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.4 -148.3 6.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -89.31 50.08 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 0.802 . . . . 0.0 109.259 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -164.44 -55.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.614 1.196 . . . . 0.0 109.59 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.6 t -112.49 151.31 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.553 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -94.85 -54.77 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.77 ' O ' HD13 ' A' ' 97' ' ' ILE . . . 172.6 -39.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.63 -6.45 44.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.545 ' CA ' HD11 ' A' ' 97' ' ' ILE . . . 82.83 26.1 46.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -106.58 121.92 45.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.1 mt -57.03 129.05 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.653 ' O ' HD22 ' A' ' 111' ' ' LEU . 75.2 t80 -128.7 47.28 2.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.653 HD22 ' O ' ' A' ' 110' ' ' TYR . 1.7 mm? -123.29 160.01 52.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.4 3.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.779 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -101.32 -42.49 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -77.6 -38.48 48.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.76 44.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -125.03 -76.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.47 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 5.0 t90 -66.76 -83.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.567 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.1 tttt 41.19 49.52 3.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.984 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -55.9 -44.68 99.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.984 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.99 -50.64 0.18 OUTLIER 'Cis proline' 0 C--N 1.361 1.215 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.982 -0.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.411 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 17.5 tp60 62.8 -65.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 120' ' ' PRO . 2.9 t -47.43 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.9 169.66 15.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.542 HD11 HD11 ' A' ' 76' ' ' LEU . 5.4 mp -40.53 -44.22 2.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.703 HD13 ' ND2' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -52.39 -62.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.15 -37.63 59.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.0 tt -64.36 -58.27 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.424 ' CG2' ' OH ' ' A' ' 32' ' ' TYR . 5.6 mt -61.22 -34.62 61.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -54.72 -46.13 74.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 134' ' ' VAL . 43.0 t -62.54 -47.3 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.436 ' SD ' HD12 ' A' ' 72' ' ' ILE . 18.6 ttm -59.49 -38.82 81.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.658 HG12 HD12 ' A' ' 59' ' ' ILE . 23.0 mt -61.27 -33.52 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.0 t -80.1 -39.17 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 130' ' ' VAL . 88.4 t -69.16 -36.6 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 4.9 m-85 -110.23 33.25 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.623 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -121.45 -42.4 0.46 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.536 1.147 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -69.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 0.716 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -84.96 155.78 60.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.404 1.065 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.21 3.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.558 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.4 Cg_endo -74.97 -28.52 9.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.439 1.758 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 141' ' ' VAL . 7.1 p -170.19 59.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 25.6 p90 -56.06 137.08 51.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.596 1.185 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.1 t -103.28 174.22 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.419 ' N ' ' OG ' ' A' ' 143' ' ' SER . 1.5 ptt85 -62.09 155.98 61.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.953 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -52.25 151.27 7.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.465 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.99 -84.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.723 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 76.14 -55.81 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.408 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.75 151.5 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.06 139.73 24.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.573 1.828 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.01 163.75 34.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.43 -15.21 18.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.65 -28.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.4 t -68.66 -53.3 23.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -79.81 -25.39 40.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.31 -34.47 77.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.951 ' N ' HD13 ' A' ' 8' ' ' LEU . 7.5 ttmt -73.49 -29.52 62.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -21.6 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.401 ' HB3' HD23 ' A' ' 39' ' ' LEU . 22.7 mtp -67.24 -13.18 61.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.61 HG12 ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -114.4 -90.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.584 1.178 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 45.3 t 67.28 -60.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' VAL . 13.3 tttt -86.52 54.06 3.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.61 ' CD1' HG12 ' A' ' 12' ' ' VAL . 1.2 m-85 -125.49 127.82 47.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -39.91 -61.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -105.2 55.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.9 ttp180 -51.67 -40.4 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -70.24 -57.75 4.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -39.46 63.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.456 HG23 HD21 ' A' ' 76' ' ' LEU . 96.3 m -70.27 -55.24 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.451 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.907 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.6 t -49.68 -38.73 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -39.16 63.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -41.8 91.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.0 m -65.95 -59.43 3.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 22' ' ' VAL . 28.2 m -55.89 -40.89 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' HB3' HD11 ' A' ' 125' ' ' LEU . 7.4 m-20 -54.6 -47.21 73.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 t -55.96 -68.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.4 pt -52.86 -27.49 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 5.3 m -74.91 -30.22 61.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.133 . . . . 0.0 110.382 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tt -85.59 -46.75 10.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 45.1 m-85 -92.14 -67.89 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 1.3 ttpp 87.59 12.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -109.68 -22.6 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.634 HD13 HG22 ' A' ' 59' ' ' ILE . 1.3 tp -75.42 174.49 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -153.75 117.77 2.71 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.624 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.05 129.15 12.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -132.75 162.7 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.794 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -116.52 148.06 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.794 ' N ' HD13 ' A' ' 39' ' ' LEU . 3.7 p30 -140.88 160.23 40.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -133.46 142.88 48.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -159.17 145.33 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.523 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 3.7 m -78.63 140.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 21.9 m-85 -147.82 -55.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -56.95 87.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 17.7 t70 49.49 23.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.16 59.9 1.03 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -139.34 118.33 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 0.816 . . . . 0.0 109.949 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -38.12 141.86 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.44 HH11 HD12 ' A' ' 52' ' ' LEU . 6.5 ttm180 -137.48 140.09 40.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.41 114.36 22.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.936 HD21 HD22 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -133.08 141.46 48.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.77 ' HA ' HD22 ' A' ' 39' ' ' LEU . 9.0 ttp -89.03 162.66 15.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 3.0 p-10 -163.35 149.61 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 37' ' ' PRO . 28.8 mt -113.76 161.67 17.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 t -165.95 145.18 6.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 160.1 -171.38 36.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.407 HG22 ' HB3' ' B' ' 207' ' ' PRO . 10.3 p -112.11 107.47 16.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 0.725 . . . . 0.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.634 HG22 HD13 ' A' ' 35' ' ' LEU . 28.1 pt -85.2 149.48 52.7 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 114.71 4.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 61' ' ' VAL . 2.3 t -109.49 103.89 53.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.477 ' N ' HG23 ' A' ' 67' ' ' THR . 18.3 Cg_endo -74.98 153.64 41.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.38 20.96 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 71.26 75.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.286 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.89 -31.43 3.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -152.22 146.9 25.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 62' ' ' PRO . 87.1 m -125.53 115.22 19.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.1 m-85 -90.18 -168.22 2.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB2' ' HA ' ' B' ' 207' ' ' PRO . 0.4 OUTLIER -120.07 115.23 23.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -113.53 128.47 25.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.472 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.3 Cg_endo -74.95 166.76 28.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.576 HG23 ' N ' ' A' ' 73' ' ' CYS . 0.0 OUTLIER -164.46 174.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.576 ' N ' HG23 ' A' ' 72' ' ' ILE . 11.3 t -173.72 116.46 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 108.31 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 1.8 pt? -135.33 165.25 25.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -104.01 156.26 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 108.041 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.742 HD11 HD21 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -126.48 110.12 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.936 HD22 HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -82.74 -173.5 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.459 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.9 OUTLIER -88.34 -48.04 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.693 ' OD1' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.585 ' HD2' HD13 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 86' ' ' ILE . 18.1 Cg_endo -75.03 -173.7 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 86' ' ' ILE . 6.1 mt 40.08 89.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 13.9 m -116.81 127.46 54.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 6.5 p90 -162.44 160.59 26.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 107' ' ' GLY . 8.3 p -92.36 153.79 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.34 81.01 45.56 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.446 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -75.04 174.7 12.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.523 HG23 ' SD ' ' A' ' 95' ' ' MET . 44.0 p -96.37 -139.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 110.465 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.72 -44.1 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.433 1.083 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -14.61 61.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.643 ' HE3' ' HB2' ' B' ' 207' ' ' PRO . 0.0 OUTLIER -77.22 -173.81 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.068 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 141' ' ' VAL . 4.9 t -152.44 130.06 11.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 98' ' ' LYS . 0.9 OUTLIER -81.37 162.75 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.454 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 3.0 tmtm? -131.18 104.26 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.8 p -78.94 138.55 38.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.85 -145.53 5.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 0.0 OUTLIER -88.99 45.48 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 11.3 m80 -163.31 -45.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.554 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.5 t -110.82 156.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.419 1.074 . . . . 0.0 109.327 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.657 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.7 t0 -103.77 -58.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 165.32 -30.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.61 2.54 50.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.606 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 87.38 0.11 84.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.69 120.26 24.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 23.5 mt -59.74 124.13 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -89.16 -47.35 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -44.08 107.8 0.64 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 59.77 5.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.3 p90 -82.81 -38.35 23.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.517 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 1.5 tt -57.81 -29.76 65.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.55 36.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.64 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -128.33 -48.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 37.4 t-105 -72.84 -81.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 107.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.553 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.5 ttpm? 37.6 40.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.985 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -54.77 -45.3 99.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.563 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.985 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.01 -48.67 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.999 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 25.1 tp60 65.02 -61.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 120' ' ' PRO . 5.1 t -49.98 162.9 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -129.76 162.43 28.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.742 HD21 HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -48.56 -40.49 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 27' ' ' ASN . 11.3 mp -64.72 -46.59 81.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.56 -31.85 77.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.051 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.693 HD12 ' OD1' ' A' ' 83' ' ' ASN . 3.2 tt -57.18 -60.75 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.06 -30.22 38.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -44.28 88.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.12 -45.03 96.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.424 ' SD ' HD11 ' A' ' 72' ' ' ILE . 2.5 ttm -61.96 -34.44 76.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.408 ' CD1' ' OH ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -62.36 -38.13 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.18 -34.98 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.7 t -72.5 -49.4 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.65 -1.67 47.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.66 -25.29 13.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -47.68 11.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.01 151.65 45.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 112.82 3.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -28.27 9.2 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 96' ' ' THR . 7.5 p -170.42 59.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 27.1 p90 -66.57 114.22 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 6.2 t -81.51 177.97 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 143' ' ' SER . 30.9 ptt180 -93.15 155.74 40.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 151.92 63.24 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 207' ' ' PRO . . . . . 0.643 ' HB2' ' HE3' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.95 -81.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 208' ' ' THR . . . . . 0.751 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 74.37 -57.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.173 . . . . 0.0 110.399 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 209' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 89.7 152.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 210' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 146.23 32.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 211' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 178.43 7.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 160.47 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 p -96.79 -22.68 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -70.67 -28.35 64.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -41.01 -41.76 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -63.59 -45.13 91.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.939 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -73.07 -22.25 60.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.247 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.2 tp -60.99 -62.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HB2' HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -48.26 -24.44 1.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 8' ' ' LEU . 4.3 mttt -83.81 -37.21 22.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mtp -64.28 -10.01 21.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -117.84 -86.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t 47.55 30.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.064 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -129.39 -45.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 2.4 m-85 -38.61 154.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' CB ' HG21 ' A' ' 79' ' ' THR . 0.0 OUTLIER -53.02 -45.87 68.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -131.56 71.85 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.56 -54.03 10.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -55.92 -56.26 22.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.232 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -36.6 62.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -69.77 -58.4 3.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.848 ' O ' HG22 ' A' ' 26' ' ' VAL . 38.6 t -51.04 -34.14 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -71.11 -34.93 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -73.68 -37.25 65.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.476 HG23 HD11 ' A' ' 55' ' ' LEU . 11.9 m -69.39 -55.16 11.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.441 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 22' ' ' VAL . 16.0 m -52.65 -42.32 40.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -54.39 -47.23 72.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.672 HG22 ' HG ' ' A' ' 125' ' ' LEU . 43.6 t -56.53 -67.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 33' ' ' LYS . 41.0 pt -54.34 -24.27 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.9 m -76.77 -19.73 57.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.46 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.621 HD23 ' CE1' ' A' ' 32' ' ' TYR . 1.2 tp -94.62 -37.91 11.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.621 ' CE1' HD23 ' A' ' 31' ' ' LEU . 22.5 m-85 -96.38 -58.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.948 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER 82.01 1.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.19 -23.73 12.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.607 HD13 HG12 ' A' ' 59' ' ' ILE . 1.2 tp -82.2 163.6 21.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.6 OUTLIER -151.28 130.07 6.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' HG21 ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.05 125.43 9.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.471 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -111.06 157.26 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.675 HD13 ' H ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -113.0 143.69 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.675 ' H ' HD13 ' A' ' 39' ' ' LEU . 1.2 p30 -141.82 145.84 35.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -125.66 106.66 9.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.948 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 1.9 t80 -126.76 168.36 14.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.1 m -89.74 150.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD2' ' HD2' ' A' ' 50' ' ' ARG . 52.9 m-85 -154.26 -66.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 110.993 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.7 m-20 -51.51 93.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' PHE . 32.0 t0 44.16 27.46 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.89 53.28 2.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -128.63 123.58 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.793 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p -43.34 136.55 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.004 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HD2' ' CD2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -149.01 137.07 20.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.426 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -71.52 132.15 44.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.44 HD12 ' CE2' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -140.24 132.26 27.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.84 168.99 10.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' ND2' HG13 ' A' ' 38' ' ' VAL . 4.3 p-10 -172.02 150.29 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.625 ' HB2' HD11 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -100.41 144.5 29.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 36' ' ' LYS . 9.8 t -151.84 153.07 33.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.45 170.76 13.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.5 p -97.97 113.01 24.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 0.769 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.694 HD13 HD11 ' A' ' 132' ' ' ILE . 63.9 mt -81.07 142.13 51.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.691 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.02 91.24 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.47 114.72 51.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' HA ' ' HG1' ' A' ' 67' ' ' THR . 18.6 Cg_endo -74.87 159.31 41.94 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.77 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.3 -162.59 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -11.45 60.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 66' ' ' ASN . . . 179.47 36.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 5.3 m-80 -163.8 -177.06 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.417 ' HG1' ' HA ' ' A' ' 62' ' ' PRO . 41.1 m -157.25 105.15 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.533 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 7.3 m-85 -93.26 -174.29 3.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -124.53 116.98 23.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.191 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.423 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -111.82 129.31 24.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.822 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.04 145.66 31.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.541 HD11 ' CD2' ' A' ' 135' ' ' PHE . 6.9 mt -152.92 143.61 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.8 t -143.22 133.1 24.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 108.271 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.834 ' O ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -143.89 144.33 31.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.425 ' O ' ' CB ' ' A' ' 84' ' ' PRO . 30.1 m95 -86.1 133.34 33.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 107.954 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -99.04 112.32 24.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 80' ' ' TYR . 4.2 mt -66.82 -173.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.566 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 2.6 p-10 -77.77 -59.32 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 1.7 t 179.22 39.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.69 ' O ' HD13 ' A' ' 77' ' ' LEU . 3.5 t80 -157.54 149.81 17.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.728 ' HG2' HD21 ' A' ' 114' ' ' LEU . 18.4 Cg_endo -75.0 -20.97 15.93 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.014 -0.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 81' ' ' PRO . 42.2 m-85 -163.11 -41.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.112 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.463 HD22 HD13 ' A' ' 127' ' ' LEU . 3.6 m120 -145.4 163.76 30.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.425 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.2 Cg_endo -75.04 114.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -17.72 19.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.607 1.846 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mt -85.91 90.16 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 84' ' ' PRO . 37.4 m -135.38 97.94 3.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 108.306 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -127.81 156.8 41.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 71' ' ' PRO . 8.3 p -84.94 145.31 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 79.3 22.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.48 33.28 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 111.055 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 65.8 p -81.63 -150.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.436 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.67 -16.45 12.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.978 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.62 5.87 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.06 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.0 mtt -95.63 -169.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 m -150.31 95.73 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.552 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.4 OUTLIER -63.12 139.94 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.601 1.188 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -112.58 123.35 50.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 104' ' ' ASP . 67.0 p -76.36 140.15 41.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -164.49 -155.82 8.59 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.92 -20.94 32.13 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.427 0.722 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.568 ' CE1' HD11 ' A' ' 111' ' ' LEU . 17.8 m-70 -94.67 -38.1 10.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.626 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.462 HG13 ' HA2' ' A' ' 107' ' ' GLY . 50.1 t -119.42 147.97 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.79 ' O ' HG22 ' A' ' 99' ' ' THR . 4.5 t0 -104.63 -54.3 2.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.484 ' O ' HG21 ' A' ' 97' ' ' ILE . . . 179.16 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.52 -7.66 54.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.678 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 83.56 22.76 55.55 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.11 121.7 32.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.9 mt -60.2 130.93 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -89.57 -161.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 102' ' ' HIS . 4.8 mt 68.2 159.97 0.14 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.6 Cg_endo -74.89 -45.53 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 59.94 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.728 HD21 ' HG2' ' A' ' 81' ' ' PRO . 2.0 tp -56.83 -33.75 67.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -98.72 23.5 8.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.626 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -122.03 -71.77 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.612 ' CZ2' ' CD2' ' A' ' 119' ' ' HIS . 47.1 t-105 -68.63 -81.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 41.16 41.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.987 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -52.3 -46.02 94.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.586 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.987 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.95 -49.29 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.047 0.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.2 tm0? 62.77 -62.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.8 t -52.64 161.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 126' ' ' GLY . 67.5 m-20 -134.28 168.74 18.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -40.99 -42.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.672 ' HG ' HG22 ' A' ' 28' ' ' VAL . 6.6 mp -66.87 -48.3 69.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -56.91 -36.52 73.57 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.552 1.157 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.463 HD13 HD22 ' A' ' 83' ' ' ASN . 5.6 tt -58.47 -57.77 11.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 124' ' ' LEU . 2.5 mp -65.86 -15.79 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.414 ' O ' HG23 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -78.7 -40.67 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.23 -47.79 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.423 ' SD ' ' HA ' ' A' ' 128' ' ' ILE . 11.7 ptp -62.86 -35.95 81.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 59' ' ' ILE . 41.9 mt -65.84 -32.19 57.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 129' ' ' GLN . 33.2 t -70.62 -35.69 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.399 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.562 HG11 ' ND1' ' A' ' 102' ' ' HIS . 25.1 t -81.57 -41.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.541 ' CD2' HD11 ' A' ' 72' ' ' ILE . 4.2 m-30 -73.59 -8.12 54.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -97.11 -31.81 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -77.74 -54.78 5.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.558 0.799 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -110.41 153.94 43.22 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.34 3.77 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.7 9.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.449 1.763 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 97' ' ' ILE . 10.1 p -172.06 55.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.411 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 34.7 p90 -54.07 130.08 36.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' B' ' 208' ' ' THR . 0.4 OUTLIER -83.67 173.62 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.009 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.415 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -109.42 157.64 36.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.8 pt-20 -51.39 148.89 8.25 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.99 -89.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.69 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 80.01 -54.5 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 85.8 150.76 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.516 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.05 137.87 22.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.78 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.533 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.05 172.62 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -93.89 163.12 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 110.237 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' B' ' 212' ' ' GLU . 4.7 pt-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.1 t -53.86 -44.47 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.0 p -54.46 -59.9 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.24 -42.3 73.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -44.8 92.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -39.2 88.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.328 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.633 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -55.66 -50.44 70.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -63.73 -25.48 68.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.96 -12.91 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.3 mtm -97.08 15.09 23.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -143.19 -100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.467 ' H ' HG23 ' A' ' 12' ' ' VAL . 3.3 t 70.39 -59.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -44.75 -30.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 2.2 m-85 -55.5 134.56 50.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB2' HG21 ' A' ' 79' ' ' THR . 14.7 tttt -41.78 -51.93 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -126.47 55.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -43.39 -27.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 2.4 t70 -72.58 -58.05 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.97 -37.35 66.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CE2' ' A' ' 15' ' ' TYR . 64.6 m -68.03 -47.71 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.626 ' O ' HG22 ' A' ' 26' ' ' VAL . 2.6 t -57.53 -45.84 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -37.33 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -74.84 -36.24 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.542 HG23 HD21 ' A' ' 55' ' ' LEU . 88.0 m -70.76 -54.56 11.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 22' ' ' VAL . 33.5 m -54.69 -41.31 55.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -54.62 -49.68 69.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.377 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 29' ' ' ILE . 2.9 t -53.46 -67.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 35' ' ' LEU . 35.1 pt -52.32 -27.95 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.4 m -73.43 -27.47 61.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -84.52 -35.27 23.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.792 ' OH ' HG23 ' A' ' 128' ' ' ILE . 3.1 m-85 -84.88 -60.09 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 86.09 -8.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -113.59 -22.68 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.631 ' O ' HG22 ' A' ' 29' ' ' ILE . 3.9 tp -82.93 131.01 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -115.7 144.16 32.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.562 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.6 Cg_endo -74.89 132.58 15.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.763 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.528 HG11 ' HB ' ' A' ' 56' ' ' THR . 0.8 OUTLIER -124.58 151.27 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.607 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -120.13 147.85 44.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.607 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.6 p30 -152.93 141.57 20.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -107.69 110.95 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.539 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 2.3 t80 -113.32 162.51 15.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.534 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 4.8 m -103.17 136.23 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CE1' ' CD2' ' A' ' 42' ' ' TYR . 16.9 m-85 -147.41 -54.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.27 90.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 52.09 24.32 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.3 35.6 7.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -107.14 128.16 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.996 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -54.36 142.29 27.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -148.0 156.68 42.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.366 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.33 123.0 29.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.559 HD13 ' C ' ' A' ' 52' ' ' LEU . 3.3 tm? -127.17 128.41 46.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.496 ' HG3' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -90.82 133.88 34.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 5.7 p-10 -144.4 164.16 31.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 37' ' ' PRO . 4.2 mt -122.13 157.88 30.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.528 ' HB ' HG11 ' A' ' 38' ' ' VAL . 1.1 t -156.96 159.09 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 110.365 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 134.89 -179.48 17.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.4 p -100.51 130.24 46.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 110.376 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.469 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 15.4 pt -100.73 147.63 33.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.0 Cg_endo -75.05 94.14 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -95.87 116.02 65.94 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 138.69 23.52 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.778 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -133.17 -179.77 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.403 ' O ' ' NH1' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -68.14 -11.36 59.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.05 -40.01 1.89 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 169.08 -178.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.5 m -91.28 107.88 19.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.379 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.508 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.7 m-85 -91.03 -167.65 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -122.78 110.91 16.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.447 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -112.59 127.84 26.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.679 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.0 152.14 40.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.572 1.827 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.446 HG12 HG23 ' A' ' 89' ' ' VAL . 2.4 mt -150.74 158.68 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.422 ' N ' ' CG2' ' A' ' 72' ' ' ILE . 53.6 t -139.76 117.24 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.506 ' CD1' ' SG ' ' A' ' 87' ' ' CYS . 3.0 mm? -117.39 144.21 45.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.431 ' CD1' HG22 ' A' ' 86' ' ' ILE . 27.0 m95 -111.66 108.56 18.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 107.989 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.76 HD11 HD21 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -93.95 120.7 34.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.706 HD22 ' O ' ' A' ' 80' ' ' TYR . 0.3 OUTLIER -76.87 -167.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.388 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 4.3 m-20 -83.48 -54.07 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.575 HG21 ' HB2' ' A' ' 16' ' ' LYS . 1.8 t -177.28 58.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.706 ' O ' HD22 ' A' ' 77' ' ' LEU . 0.6 OUTLIER 179.2 150.4 0.47 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.571 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 18.5 Cg_endo -75.0 -45.87 0.42 Allowed 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.022 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 81' ' ' PRO . 61.0 m-85 -162.46 32.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 174.61 165.89 0.35 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.402 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HB3' HD12 ' A' ' 76' ' ' LEU . 18.2 Cg_endo -75.04 113.69 3.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.9 13.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.431 HG22 ' CD1' ' A' ' 75' ' ' TRP . 68.4 mt 49.84 94.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 26.8 m -127.97 119.14 24.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.08 165.44 35.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 107' ' ' GLY . 9.9 p -92.81 149.93 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.44 78.08 27.51 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.96 168.06 25.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.576 1.829 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 18.9 p -82.06 -140.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 110.414 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.07 -41.07 2.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.94 -5.66 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.6 mtt -75.63 -170.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.4 m -151.8 96.07 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.611 HD11 ' CA ' ' A' ' 107' ' ' GLY . 1.3 tt -58.01 151.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -132.75 94.33 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 68.7 p -66.04 147.24 53.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.83 -140.16 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.83 47.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.308 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.434 ' CE1' HG13 ' A' ' 134' ' ' VAL . 11.1 m170 -162.35 -48.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.639 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.8 t -115.0 139.8 39.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.6 t70 -84.92 -67.53 0.79 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 172.47 39.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.05 15.97 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.801 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 57.78 33.94 69.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.127 . . . . 0.0 111.078 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 141.88 51.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.803 HD11 ' SD ' ' A' ' 131' ' ' MET . 2.8 mt -63.92 134.16 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 111' ' ' LEU . 24.5 t80 -81.12 -55.86 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.423 HD12 ' HE1' ' A' ' 113' ' ' TYR . 4.9 mt -39.78 147.51 0.34 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.3 Cg_endo -75.04 -38.03 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.759 ' OH ' HG21 ' A' ' 134' ' ' VAL . 3.5 m-30 57.33 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER -55.1 -34.75 63.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.29 29.33 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.638 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -133.07 -67.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.509 ' CD1' ' HB2' ' A' ' 122' ' ' SER . 34.1 t-105 -69.27 -77.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 107.995 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.56 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 39.67 40.63 0.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.153 . . . . 0.0 109.348 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.991 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -52.63 -45.86 96.12 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.991 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.9 -48.37 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.06 -0.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 2.0 tm0? 61.39 -64.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.614 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.9 OUTLIER -54.74 155.27 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 110.037 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 126' ' ' GLY . 27.3 m-20 -133.35 170.72 15.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.76 HD21 HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -46.16 -39.8 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.26 -39.92 95.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -66.43 -52.48 35.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.4 tt -43.07 -54.34 4.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.776 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.792 HG23 ' OH ' ' A' ' 32' ' ' TYR . 1.5 mp -58.5 -36.45 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' GLY . 24.8 tt0 -63.24 -47.08 83.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.666 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.2 t -62.9 -42.17 95.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.803 ' SD ' HD11 ' A' ' 109' ' ' ILE . 4.9 tpp -64.19 -40.6 96.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.5 mt -57.76 -37.98 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.28 -51.59 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.759 HG21 ' OH ' ' A' ' 113' ' ' TYR . 55.8 t -50.33 -51.04 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 6.0 m-30 -95.88 24.92 5.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.29 -9.2 13.46 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -105.47 -53.79 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 0.71 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 16.1 mp0 -101.92 149.84 36.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 138' ' ' GLU . 18.4 Cg_endo -75.01 -27.92 9.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 141' ' ' VAL . 13.1 p -171.22 61.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.402 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 21.9 p90 -62.76 131.21 48.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.0 t -94.76 162.92 13.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 143' ' ' SER . 11.7 mtt180 56.81 161.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.22 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.548 1.815 . . . . 0.0 110.953 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 111.042 -0.407 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -52.45 150.67 8.59 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.48 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.94 -87.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.486 1.782 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.704 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 79.24 -56.22 0.42 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.0 152.37 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.447 ' CD ' HD12 ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.07 140.7 25.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.9 -170.91 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -100.0 -146.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.3 pp20? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -100.01 6.36 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -51.27 -41.1 60.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -40.17 -44.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.11 -45.01 94.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.2 tp60 -68.42 -34.1 75.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' MET . 1.1 tp -54.5 -51.29 65.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.31 -25.17 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -80.64 -26.13 37.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.36 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.605 ' HB3' HD23 ' A' ' 39' ' ' LEU . 55.0 mtt -67.92 -18.43 64.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.559 HG12 ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.27 -88.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.85 -59.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.82 62.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.747 ' CE2' HG21 ' A' ' 21' ' ' THR . 0.2 OUTLIER -125.35 123.67 39.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.2 OUTLIER -39.85 -52.37 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.46 ' HD2' HG22 ' A' ' 79' ' ' THR . 0.6 OUTLIER -115.74 46.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 22' ' ' VAL . 38.2 ttp180 -43.88 -31.43 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -57.29 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 tp -53.65 -40.13 65.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.747 HG21 ' CE2' ' A' ' 15' ' ' TYR . 99.4 m -64.96 -52.35 56.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.966 ' O ' HG13 ' A' ' 26' ' ' VAL . 13.1 t -57.3 -36.58 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HA ' HG22 ' A' ' 26' ' ' VAL . 3.4 ttt180 -65.34 -29.94 70.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.179 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -75.95 -29.02 58.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.658 HG23 HD21 ' A' ' 55' ' ' LEU . 88.6 m -85.93 -50.4 7.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.966 HG13 ' O ' ' A' ' 22' ' ' VAL . 18.9 m -46.52 -54.59 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.243 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.626 HD21 HD13 ' A' ' 125' ' ' LEU . 3.7 p-10 -62.05 -45.95 91.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.376 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.727 HG13 ' CE2' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -53.75 -63.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.596 ' N ' HG12 ' A' ' 28' ' ' VAL . 6.0 pt -58.16 -34.03 48.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 18.4 m -73.58 -16.35 61.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.452 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.621 HD22 ' HG ' ' A' ' 125' ' ' LEU . 4.7 tp -88.1 -44.29 11.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.846 ' CZ ' HG21 ' A' ' 128' ' ' ILE . 4.2 m-85 -87.74 -57.22 3.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER 83.66 -3.09 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.388 1.055 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.39 -24.09 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.943 HD13 HG23 ' A' ' 59' ' ' ILE . 2.7 tp -86.79 140.2 29.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 10.4 ttmt -123.72 143.8 42.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.06 130.09 12.89 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.541 1.811 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 39' ' ' LEU . 2.3 p -127.28 164.29 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -128.32 135.29 49.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.48 158.61 43.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -130.48 146.78 52.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.066 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 1.7 t80 -150.01 156.56 41.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 m -83.41 139.87 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 42' ' ' TYR . 73.5 m-85 -144.35 -67.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.062 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.26 98.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t0 47.74 27.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.68 50.17 3.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.6 p -114.89 113.1 23.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -62.88 133.06 54.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.83 ' HD2' HD12 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -144.59 148.87 34.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.69 139.24 51.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.83 HD12 ' HD2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -150.2 129.16 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.476 ' CG ' HG13 ' A' ' 12' ' ' VAL . 3.5 mmm -60.83 158.55 12.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 9.0 t30 -167.99 152.93 6.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.658 HD21 HG23 ' A' ' 25' ' ' THR . 1.4 mt -118.65 155.8 30.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.7 t -158.2 150.12 21.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.3 171.83 16.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.403 HG22 ' HB3' ' B' ' 207' ' ' PRO . 35.5 p -102.64 99.11 9.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.741 . . . . 0.0 110.437 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.943 HG23 HD13 ' A' ' 35' ' ' LEU . 4.2 pt -69.43 149.27 97.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.96 90.1 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 111.054 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -73.86 114.03 28.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.7 41.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.782 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -128.26 -172.57 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -63.0 -12.41 25.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 179.08 42.26 0.07 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -169.37 -179.31 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 0.806 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.6 m -154.45 107.26 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 4.2 m-85 -97.68 -172.82 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -123.16 115.79 22.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -115.25 127.09 27.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.661 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.5 Cg_endo -75.0 145.68 31.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 73' ' ' CYS . 2.7 mt -152.65 161.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 1.1 m -141.89 125.91 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 108.319 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.753 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -129.74 132.6 46.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.715 ' HE3' HD22 ' A' ' 52' ' ' LEU . 10.4 m95 -95.11 152.67 18.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 108.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.986 HD11 HD11 ' A' ' 124' ' ' LEU . 1.2 mp -140.24 135.9 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.82 HD21 HD11 ' A' ' 52' ' ' LEU . 29.3 mt -94.5 -169.38 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.692 ' O ' HG23 ' A' ' 79' ' ' THR . 8.4 p30 -81.96 -51.39 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 78' ' ' ASP . 7.5 p -160.47 -39.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.615 ' O ' HD13 ' A' ' 77' ' ' LEU . 1.5 m-85 -103.7 168.7 8.29 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.606 ' O ' ' CD2' ' A' ' 82' ' ' TYR . 18.3 Cg_endo -75.04 -23.22 12.94 Favored 'Cis proline' 0 C--N 1.359 1.089 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.976 0.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.606 ' CD2' ' O ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER 164.38 72.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 69.19 111.1 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.648 ' HB3' HD11 ' A' ' 114' ' ' LEU . 18.3 Cg_endo -74.98 54.23 3.57 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.413 1.744 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.753 ' O ' HD13 ' A' ' 74' ' ' LEU . 65.1 mt -111.05 85.16 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.667 ' HB2' HD12 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -119.75 125.08 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.528 1.143 . . . . 0.0 108.259 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.68 ' HE1' HG22 ' A' ' 86' ' ' ILE . 2.5 p90 -153.78 148.89 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 107' ' ' GLY . 8.7 p -90.08 151.25 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -123.0 76.39 50.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.605 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.04 168.38 24.93 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.5 1.789 . . . . 0.0 111.038 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.419 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 82.0 p -84.42 -164.03 0.89 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.44 -16.84 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -97.66 -2.24 41.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.434 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.8 mtt -81.29 -166.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.545 ' C ' HG23 ' A' ' 141' ' ' VAL . 56.6 m -150.13 108.04 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.921 HD11 ' HA2' ' A' ' 107' ' ' GLY . 1.2 tt -76.3 146.35 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -118.24 99.58 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 27.6 p -72.26 149.85 44.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.32 -138.24 5.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -92.42 47.07 1.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.654 ' NE2' HG13 ' A' ' 134' ' ' VAL . 12.4 m80 -157.71 -46.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.61 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 104' ' ' ASP . 1.5 t -117.98 177.41 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.602 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.0 OUTLIER -119.04 -55.04 2.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 168.8 -38.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.64 1.88 52.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.921 ' HA2' HD11 ' A' ' 97' ' ' ILE . . . 96.07 -20.85 48.22 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 128.78 35.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.667 HD12 ' HB2' ' A' ' 87' ' ' CYS . 18.0 mt -57.29 126.16 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -142.53 93.86 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 113' ' ' TYR . 0.0 OUTLIER -172.62 161.01 4.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.515 ' N ' HD22 ' A' ' 111' ' ' LEU . 18.1 Cg_endo -75.0 90.74 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.772 ' CE1' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -144.86 -52.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.982 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.648 HD11 ' HB3' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -74.26 -26.71 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 38.45 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.561 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.0 -66.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.51 ' CH2' ' CE1' ' A' ' 119' ' ' HIS . 30.6 t-105 -65.21 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.547 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER 43.42 41.05 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.6 -45.99 98.42 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.545 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -75.01 -46.36 0.38 Allowed 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.053 -0.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 26.4 tp60 61.94 -67.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 120' ' ' PRO . 6.2 t -41.89 162.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 124' ' ' LEU . 4.8 m-20 -133.52 170.33 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.986 HD11 HD11 ' A' ' 76' ' ' LEU . 2.0 mm? -39.46 -53.02 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.626 HD13 HD21 ' A' ' 27' ' ' ASN . 0.4 OUTLIER -53.33 -54.49 35.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.372 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.48 -41.43 80.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.562 1.164 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.18 -55.75 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.773 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.846 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 1.7 mt -62.78 -35.14 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.92 -46.81 88.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.336 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.772 HG11 ' CE1' ' A' ' 113' ' ' TYR . 2.9 t -66.65 -40.44 86.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.527 ' SD ' HD11 ' A' ' 109' ' ' ILE . 5.6 ttm -68.07 -36.38 79.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.539 HD12 HG22 ' A' ' 128' ' ' ILE . 11.0 mt -62.73 -35.2 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 30.8 t -77.39 -33.27 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.654 HG13 ' NE2' ' A' ' 102' ' ' HIS . 38.6 t -74.28 -46.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.03 -4.31 56.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.97 -48.55 2.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.59 -31.23 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -123.88 146.52 51.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 113.9 3.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 18.3 Cg_endo -75.0 -27.74 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.545 HG23 ' C ' ' A' ' 96' ' ' THR . 8.6 p -172.96 57.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.471 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 21.5 p90 -56.38 125.94 24.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -81.16 173.37 12.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 110.019 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.412 ' N ' ' OG ' ' A' ' 143' ' ' SER . 1.1 ptt85 -120.33 147.99 46.39 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 111.042 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.2 pt-20 -49.14 149.0 3.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' B' ' 208' ' ' THR . 18.2 Cg_endo -75.03 -88.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.447 1.762 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 79.65 -54.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.444 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.68 150.66 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.562 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.03 134.27 17.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.99 170.59 20.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.808 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.0 OUTLIER -93.66 158.68 15.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 4' ' ' SER . 8.0 p -94.31 -51.57 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.513 ' N ' HG13 ' A' ' 3' ' ' VAL . 85.8 p -92.62 -60.22 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -38.86 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.238 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.75 -49.42 77.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.045 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.7 -44.04 91.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.356 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.857 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -57.75 -50.55 72.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -63.74 -29.71 70.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -76.79 -12.82 60.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.84 ' HB3' HD23 ' A' ' 39' ' ' LEU . 35.7 mtp -94.08 -5.58 47.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.682 HG12 ' CE1' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -128.83 -103.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER 84.59 -47.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -110.28 63.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.682 ' CE1' HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -122.45 142.37 50.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HG2' HG21 ' A' ' 79' ' ' THR . 0.3 OUTLIER -39.33 -53.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.444 ' HB3' ' CB ' ' A' ' 20' ' ' LEU . 94.2 m-85 -136.56 71.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.743 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.4 mtm180 -42.95 -37.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -71.52 -58.17 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 11.7 tp -52.87 -37.33 60.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.228 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.602 HG21 ' CD2' ' A' ' 15' ' ' TYR . 91.3 m -69.02 -51.36 39.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 18' ' ' ARG . 41.4 t -55.39 -47.95 77.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HA ' HG22 ' A' ' 26' ' ' VAL . 6.7 ttm180 -59.96 -43.31 95.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.71 ' HB3' HD22 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -63.26 -38.04 89.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.446 HG23 HD11 ' A' ' 55' ' ' LEU . 73.5 m -73.12 -62.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 22' ' ' VAL . 14.5 m -48.04 -44.55 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -55.24 -48.82 73.39 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 24' ' ' GLU . 16.0 t -56.17 -66.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 43.5 pt -54.31 -21.64 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.1 m -81.67 -19.76 40.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.87 -49.36 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.644 ' CE2' HG21 ' A' ' 128' ' ' ILE . 26.5 m-85 -85.51 -61.73 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 7.3 ttmt 87.36 -8.3 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.424 1.077 . . . . 0.0 109.354 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.43 -22.88 19.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.377 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.453 HD11 HG22 ' A' ' 72' ' ' ILE . 2.1 tp -88.2 170.19 11.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -159.61 142.9 10.47 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.93 122.12 7.04 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.576 HG11 ' HB ' ' A' ' 56' ' ' THR . 2.2 p -122.91 165.2 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.914 HD11 ' HB2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -116.74 154.98 29.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.679 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.5 p30 -147.52 142.65 27.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -113.32 83.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -107.54 148.07 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.041 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 49' ' ' SER . 10.2 m -86.65 143.71 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 42.5 m-85 -144.48 -65.06 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.6 m-80 -57.57 98.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.6 t0 45.63 26.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 88.27 55.44 2.22 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 t -122.82 109.32 14.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.436 ' N ' HG12 ' A' ' 43' ' ' VAL . 16.1 m -42.57 144.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -146.03 136.45 23.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.914 ' HB2' HD11 ' A' ' 39' ' ' LEU . 3.4 pm0 -81.25 72.76 8.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.228 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.512 HD22 ' CE3' ' A' ' 75' ' ' TRP . 9.4 tt -76.57 133.79 39.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -81.2 107.51 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.51 ' O ' HD22 ' A' ' 55' ' ' LEU . 4.8 p-10 -109.29 167.14 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD22 ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -116.2 152.97 32.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.576 ' HB ' HG11 ' A' ' 38' ' ' VAL . 10.5 t -139.89 178.53 7.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.73 176.2 15.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.573 1.17 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 54.3 p -121.3 108.56 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.888 HD12 HG12 ' A' ' 132' ' ' ILE . 46.8 pt -74.97 152.09 86.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.591 1.837 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.491 HG13 ' HA2' ' A' ' 136' ' ' GLY . 3.1 t -105.42 110.04 63.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.36 42.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.79 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.445 ' CB ' ' OD1' ' A' ' 66' ' ' ASN . 0.5 OUTLIER -125.31 -147.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -13.56 59.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.439 ' C ' ' ND2' ' A' ' 66' ' ' ASN . . . 179.72 54.21 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.445 ' OD1' ' CB ' ' A' ' 63' ' ' TYR . 0.9 OUTLIER 171.42 174.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.0 m -143.26 108.2 4.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.533 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 1.7 m-85 -87.0 -166.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -128.61 111.35 13.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.439 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -109.39 130.95 22.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 160.89 39.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.524 1.802 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 73' ' ' CYS . 0.2 OUTLIER -145.62 -176.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.515 ' N ' HG23 ' A' ' 72' ' ' ILE . 53.1 t -166.97 114.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 108.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.668 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.6 OUTLIER -110.44 150.52 28.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.512 ' CE3' HD22 ' A' ' 52' ' ' LEU . 81.2 m95 -112.07 68.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 108.052 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.904 HD11 HD21 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -50.73 112.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.11 -171.29 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.571 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 1.6 m-20 -83.42 -58.7 2.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.588 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 9.4 t -170.07 59.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 79' ' ' THR . 55.9 m-85 -159.11 155.65 24.62 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.0 Cg_endo -75.06 -44.69 0.53 Allowed 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.018 -2.492 . . . . 0.0 110.923 0.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.556 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 26.4 m-85 -115.04 -15.0 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.627 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.6 OUTLIER 152.11 -45.55 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.251 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 113.34 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.583 1.833 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.452 ' HG2' HD12 ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.96 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.403 1.739 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.668 ' O ' HD13 ' A' ' 74' ' ' LEU . 3.6 mt -81.45 146.0 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.52 ' HB3' HD13 ' A' ' 109' ' ' ILE . 37.7 m -110.22 127.06 54.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 108.345 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 2.4 m-85 -139.92 170.56 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.974 HG12 ' O ' ' A' ' 107' ' ' GLY . 9.9 p -134.86 145.32 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -122.02 78.0 41.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.525 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -74.93 164.47 33.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.477 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 82.5 p -84.34 -167.86 1.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.4 m -88.94 -38.56 14.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.94 -17.02 61.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.6 mtt -70.57 179.22 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' HG23 ' A' ' 141' ' ' VAL . 87.3 m -155.04 99.86 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.628 ' N ' HG23 ' A' ' 141' ' ' VAL . 8.6 mt -45.86 150.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -116.71 74.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.438 HG23 HG22 ' A' ' 97' ' ' ILE . 67.3 p -60.23 139.11 57.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 172.4 -134.45 3.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.561 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -91.04 47.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.626 ' HA ' HD11 ' A' ' 111' ' ' LEU . 16.9 m170 -165.04 -59.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.671 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.6 t -101.36 161.59 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.7 OUTLIER -105.73 -66.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.364 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 169.88 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.241 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.15 -25.39 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.974 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 113.17 0.99 25.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 7.0 ttpt -99.37 131.41 45.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 87' ' ' CYS . 2.7 mp -56.62 133.78 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.68 ' C ' HD12 ' A' ' 111' ' ' LEU . 18.5 t80 -109.99 82.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.68 HD12 ' C ' ' A' ' 110' ' ' TYR . 4.9 mp -157.71 152.97 21.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 47.28 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -46.75 -35.9 6.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -79.17 -43.68 23.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.5 37.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -126.82 -84.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.436 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 25.7 t-105 -69.08 -81.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.531 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 12.1 ttpp 47.34 43.36 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 1.001 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.95 -45.86 99.72 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.542 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 1.001 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.95 -43.92 0.63 Allowed 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.064 -0.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 10.4 tm0? 57.6 -74.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 120' ' ' PRO . 3.6 t -36.96 145.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 126' ' ' GLY . 16.2 m-20 -127.43 169.6 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.904 HD21 HD11 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -39.61 -46.41 1.79 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.22 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 125' ' ' LEU . 6.8 mp -64.8 -49.74 69.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -59.73 -30.75 69.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.647 HD23 ' N ' ' A' ' 128' ' ' ILE . 2.5 tt -59.93 -58.2 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.647 ' N ' HD23 ' A' ' 127' ' ' LEU . 2.5 mt -58.39 -23.7 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -41.68 71.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.39 -41.76 91.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.455 ' CE ' ' HB3' ' A' ' 87' ' ' CYS . 0.0 OUTLIER -67.64 -38.7 84.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 111.024 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.888 HG12 HD12 ' A' ' 59' ' ' ILE . 43.2 mt -59.99 -31.38 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.2 t -79.88 -42.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 49.7 t -66.69 -47.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.696 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 5.5 m-85 -90.62 26.08 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.491 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -119.57 -35.51 0.91 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.71 -70.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 0.724 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.98 166.62 13.11 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.25 3.75 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.696 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.99 -28.99 8.7 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.443 1.76 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.628 HG23 ' N ' ' A' ' 97' ' ' ILE . 11.9 p -170.45 60.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -57.28 136.19 56.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.0 t -98.38 171.53 8.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -93.11 156.29 40.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.937 -0.447 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.444 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 pt-20 -50.85 151.98 3.95 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.477 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.6 Cg_endo -74.92 -89.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.447 1.762 . . . . 0.0 111.054 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.737 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.88 -56.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.57 150.74 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.533 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -75.01 136.71 20.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.94 176.62 9.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -111.32 168.51 9.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' B' ' 212' ' ' GLU . 2.0 pp20? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.2 t -108.19 -41.54 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.394 1.059 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -58.89 -20.82 55.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -39.26 -44.67 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -47.43 85.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -71.53 -29.48 64.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 8' ' ' LEU . 1.7 tp -55.24 -43.09 74.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.617 ' HE3' HG11 ' A' ' 22' ' ' VAL . 10.7 ttmt -60.14 -24.82 65.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -26.29 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.672 ' HB3' HD23 ' A' ' 39' ' ' LEU . 67.8 mtt -66.88 -15.99 64.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.735 HG12 ' CG ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.51 -87.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 t 41.92 28.49 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 110.119 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 12' ' ' VAL . 2.3 ttmt -151.95 -45.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.735 ' CG ' HG12 ' A' ' 12' ' ' VAL . 3.2 m-30 -36.7 132.99 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.167 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.82 ' CB ' HG21 ' A' ' 79' ' ' THR . 0.0 OUTLIER -40.29 -54.01 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -108.12 57.59 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -51.46 -47.2 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.84 -56.17 24.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -56.88 -32.08 65.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.21 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.4 m -73.38 -50.76 20.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.747 ' O ' HG22 ' A' ' 26' ' ' VAL . 43.9 t -60.87 -32.62 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 2.7 ttm180 -76.64 -30.18 56.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -78.79 -43.35 25.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 m -65.82 -45.01 83.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.418 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 22' ' ' VAL . 35.6 m -64.26 -41.5 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 31' ' ' LEU . 3.7 m-20 -51.95 -47.0 64.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 24' ' ' GLU . 70.2 t -56.77 -69.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.1 pt -53.82 -20.59 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 7.7 m -84.26 -23.85 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' ASN . 3.8 tp -91.51 -50.45 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.242 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -95.74 -56.17 2.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 76.96 17.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.71 -24.05 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.562 HD13 ' CG2' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -74.41 169.53 17.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.361 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.83 115.48 3.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.64 6.16 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -120.65 164.16 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' ' 11' ' ' MET . 0.5 OUTLIER -115.04 140.64 48.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.5 p30 -127.13 159.06 35.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -141.25 120.88 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.064 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -140.84 149.79 42.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 m -80.36 145.51 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.363 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -149.9 -66.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 47' ' ' GLY . 3.7 m-20 -50.74 97.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t0 43.99 27.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 89.08 51.02 3.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -125.49 128.22 47.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p -40.57 151.92 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.23 149.07 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.24 119.45 35.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.32 136.96 32.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.45 ' SD ' ' CD1' ' A' ' 8' ' ' LEU . 4.6 ttp -88.22 174.23 8.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -171.96 145.87 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -103.37 148.44 25.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 t -157.03 135.26 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 110.382 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.62 -171.84 43.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.3 p -119.44 100.91 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.345 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.636 HD12 HG12 ' A' ' 132' ' ' ILE . 13.7 pt -80.17 147.6 65.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 105.15 2.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.438 1.757 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 t -91.13 113.07 57.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 156.53 42.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -127.34 -149.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -12.03 59.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -179.22 35.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.414 ' C ' ' HG1' ' A' ' 67' ' ' THR . 3.1 m120 -163.7 -177.53 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.414 ' HG1' ' C ' ' A' ' 66' ' ' ASN . 26.0 m -156.28 104.46 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.434 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.3 m-85 -92.27 -165.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.5 122.1 30.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.584 1.177 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -114.45 135.0 22.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.436 ' HG3' ' HE3' ' A' ' 95' ' ' MET . 18.5 Cg_endo -74.97 146.09 32.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.687 HD12 ' SD ' ' A' ' 131' ' ' MET . 5.1 mm -135.25 151.86 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.405 ' HB2' ' CG ' ' A' ' 90' ' ' LYS . 21.4 t -160.6 106.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.282 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -138.22 164.54 28.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.576 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 12.3 m95 -99.71 160.77 14.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.185 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.044 HD11 HD11 ' A' ' 124' ' ' LEU . 2.0 tp -129.45 98.55 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.96 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.583 ' C ' HG22 ' A' ' 79' ' ' THR . 0.5 OUTLIER -92.5 -41.87 10.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.82 HG21 ' CB ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 165.08 60.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.627 ' CD1' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER 175.95 142.86 0.22 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 110.921 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.627 ' HA ' ' CD1' ' A' ' 80' ' ' TYR . 18.5 Cg_endo -74.95 -36.51 2.57 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.995 -0.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 81' ' ' PRO . 17.2 m-85 -148.88 -44.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.612 ' ND2' HD12 ' A' ' 127' ' ' LEU . 2.3 m-20 -145.96 151.42 45.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 113.33 3.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -14.03 21.34 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.649 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 3.0 mm -76.32 105.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.8 m -138.81 114.29 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 108.212 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.649 ' CZ ' HG23 ' A' ' 86' ' ' ILE . 12.3 m-85 -123.93 171.54 9.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.955 HG12 ' O ' ' A' ' 107' ' ' GLY . 11.9 p -115.93 161.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 5.6 mmmt -125.8 74.33 70.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.529 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.96 174.93 11.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.0 p -110.01 -160.95 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.132 . . . . 0.0 110.432 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.5 p -96.54 -25.34 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -89.6 -5.03 57.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.956 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.6 mtt -82.6 -174.2 5.06 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.446 ' C ' HG23 ' A' ' 141' ' ' VAL . 95.5 m -156.5 105.63 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -56.85 134.75 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -120.46 102.27 8.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 p -84.21 140.24 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.396 1.06 . . . . 0.0 110.35 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 101' ' ' LYS . . . 175.23 56.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 0.1 OUTLIER 79.75 -50.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -65.08 -36.17 83.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.628 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.19 153.39 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.678 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.5 OUTLIER -91.44 -66.89 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 163.92 -31.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -83.35 -7.51 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.955 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 99.84 15.05 32.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -109.61 134.03 52.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.38 138.16 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.412 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 29.2 t80 -113.61 65.74 0.66 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.9 mt -144.04 142.78 20.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.227 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.29 2.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.404 1.739 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -41.4 -49.46 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 83' ' ' ASN . 4.6 tp -69.33 -39.24 78.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.5 37.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.528 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -130.01 -86.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.496 ' CD1' ' HB2' ' A' ' 122' ' ' SER . 36.4 t-105 -71.64 -79.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 107.986 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.562 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.1 pttt 39.54 39.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -53.52 -45.62 98.51 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.62 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.07 -47.53 0.31 Allowed 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.015 0.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.6 tp-100 62.42 -63.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.583 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -54.95 158.49 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 126' ' ' GLY . 2.2 p-10 -132.75 174.44 10.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 1.044 HD11 HD11 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -40.16 -42.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.378 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -59.36 -52.34 66.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -64.77 -37.1 93.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.612 HD12 ' ND2' ' A' ' 83' ' ' ASN . 8.6 tt -48.63 -56.36 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.8 mp -69.08 -31.86 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -54.97 -45.88 75.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.2 t -62.13 -47.4 93.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.687 ' SD ' HD12 ' A' ' 72' ' ' ILE . 42.2 ttm -60.06 -41.94 93.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.636 HG12 HD12 ' A' ' 59' ' ' ILE . 11.3 mt -58.24 -36.68 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.72 -40.56 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 130' ' ' VAL . 86.8 t -65.23 -49.91 76.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 140' ' ' PRO . 2.1 m-30 -88.83 19.44 4.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -113.61 -40.41 1.02 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.424 1.077 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -61.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -104.8 161.15 23.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.25 3.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.567 1.825 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.552 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.97 -23.23 14.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.446 HG23 ' C ' ' A' ' 96' ' ' THR . 7.2 p -176.19 63.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 142' ' ' PHE . 2.1 p90 -58.25 139.36 55.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 1.9 t -105.59 176.05 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.457 ' CD ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -83.63 168.78 20.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 144' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -57.37 151.24 39.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.464 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.97 -84.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.726 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.78 -56.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.431 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.98 152.52 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.447 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.93 136.17 20.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.99 167.81 26.23 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.3 OUTLIER -93.13 148.31 22.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.7 t -69.49 -45.92 77.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.0 p -56.19 -58.01 9.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -50.62 -45.56 57.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -63.13 -53.13 58.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.07 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -59.81 -28.13 67.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.2 tp -63.71 -43.39 96.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HD2' ' CZ ' ' A' ' 18' ' ' ARG . 5.3 ttpp -62.02 -31.04 71.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -84.43 -12.02 55.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.35 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.451 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 7.7 mtm -85.78 -10.21 55.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -117.18 -98.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.531 ' H ' HG23 ' A' ' 12' ' ' VAL . 58.8 m 58.26 16.64 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.046 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -123.26 14.68 9.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -110.29 154.31 23.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -59.45 5.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' THR . 5.2 m-85 -108.56 69.49 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' CZ ' ' HD2' ' A' ' 9' ' ' LYS . 50.6 ttp180 -51.58 -43.42 62.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.199 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -58.01 8.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -57.04 -30.22 64.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' TYR . 44.8 m -71.18 -47.84 55.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.368 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.732 ' O ' HG22 ' A' ' 26' ' ' VAL . 37.5 t -69.66 -41.37 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -68.03 -30.46 69.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.496 ' HG2' HD22 ' A' ' 124' ' ' LEU . 26.8 tt0 -78.4 -38.07 42.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.508 HG23 HD21 ' A' ' 55' ' ' LEU . 17.9 m -69.56 -48.85 58.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 22' ' ' VAL . 27.7 m -60.56 -37.81 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.539 ' HB3' HD21 ' A' ' 125' ' ' LEU . 8.7 m-20 -58.18 -42.2 85.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.832 HG21 HD23 ' A' ' 124' ' ' LEU . 21.7 t -60.32 -66.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 35' ' ' LEU . 3.8 pt -55.57 -26.64 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.8 m -68.67 -27.58 66.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tp -89.19 -48.12 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.658 ' CE1' HD11 ' A' ' 59' ' ' ILE . 37.7 m-85 -86.52 -65.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 3.5 ttpp 88.27 9.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -110.46 -22.96 11.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.489 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.6 mp -73.76 124.21 25.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -110.08 119.33 47.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.226 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.04 129.21 12.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.95 154.34 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' HB2' ' CE ' ' A' ' 11' ' ' MET . 0.3 OUTLIER -118.38 131.61 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 41' ' ' SER . 13.9 t0 -154.39 148.68 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 7.8 t -117.25 139.99 50.11 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.7 t80 -135.99 153.66 51.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 m -77.99 139.41 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 26.5 m-85 -144.25 -64.78 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -54.4 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.362 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' PHE . 19.0 t0 50.23 24.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.73 55.52 1.88 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 t -126.49 116.12 20.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.047 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.5 p -41.88 140.78 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -147.57 136.16 21.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -76.2 117.5 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.342 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.528 HD12 ' HE2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -133.44 149.94 51.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.407 ' HG2' ' CD2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -95.12 158.34 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 4.1 p-10 -162.12 148.88 13.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD21 HG23 ' A' ' 25' ' ' THR . 2.0 mt -115.24 152.5 32.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 56' ' ' THR . 0.7 OUTLIER -160.27 117.33 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 110.499 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . -159.18 -179.74 34.22 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 p -110.2 103.49 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.736 . . . . 0.0 110.365 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.058 HD13 HD11 ' A' ' 132' ' ' ILE . 2.4 tt -82.83 142.95 45.7 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 17.9 Cg_endo -75.13 114.6 4.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.57 112.97 65.88 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.56 ' N ' HG23 ' A' ' 67' ' ' THR . 18.4 Cg_endo -74.94 154.22 42.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.3 OUTLIER -133.88 16.21 3.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.986 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 2.9 ttt85 78.12 53.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.67 -31.69 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -139.69 131.52 27.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.56 HG23 ' N ' ' A' ' 62' ' ' PRO . 19.3 m -113.58 101.33 9.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.542 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 6.9 m-85 -76.34 -172.63 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.4 OUTLIER -123.31 114.84 20.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.438 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -113.39 130.95 23.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.626 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.0 Cg_endo -75.09 168.55 24.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.55 160.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.549 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 12.3 t -158.6 118.38 3.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 108.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.595 ' H ' HD23 ' A' ' 74' ' ' LEU . 2.4 pt? -138.46 159.22 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 85.2 m95 -105.81 158.61 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.642 HD12 ' HG3' ' A' ' 84' ' ' PRO . 4.9 tp -123.76 142.64 50.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.761 HD22 ' O ' ' A' ' 80' ' ' TYR . 0.3 OUTLIER -111.41 177.88 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -69.96 -63.71 1.03 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 t -176.01 39.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.451 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.761 ' O ' HD22 ' A' ' 77' ' ' LEU . 43.6 p90 -164.15 155.16 13.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.545 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 18.4 Cg_endo -75.03 -14.97 22.86 Favored 'Cis proline' 0 C--N 1.361 1.223 0 C-N-CA 120.924 -2.532 . . . . 0.0 110.983 -0.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 164.89 87.63 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.549 1.155 . . . . 0.0 111.033 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 4.6 t-20 77.58 141.77 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.642 ' HG3' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.01 113.0 3.69 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.557 1.819 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.588 ' HA ' HD13 ' A' ' 114' ' ' LEU . 18.3 Cg_endo -74.97 -19.61 17.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.6 mm -69.08 91.1 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 36.4 m -132.15 102.17 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 5.4 p90 -133.25 155.98 48.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 71' ' ' PRO . 13.6 p -90.7 149.86 3.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.78 79.52 23.72 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -172.59 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.7 p -103.38 -145.65 0.37 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -109.5 -42.81 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.79 -7.99 51.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.536 ' HE1' ' HB2' ' B' ' 207' ' ' PRO . 4.3 mtt -74.33 -175.7 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 m -148.3 94.66 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.568 HD11 ' CA ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -52.09 156.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.7 102.1 7.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 59.1 p -86.19 145.17 27.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.05 -135.34 3.78 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.41 46.1 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.727 ' CD2' HD12 ' A' ' 111' ' ' LEU . 6.8 m170 -161.78 -44.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.661 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -131.41 155.25 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.368 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.2 OUTLIER -98.64 -68.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 175.94 35.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.37 17.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.596 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 69.31 4.64 45.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.571 1.169 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 139.7 32.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 69.1 mt -79.49 125.46 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 111' ' ' LEU . 79.9 t80 -85.32 -56.59 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.727 HD12 ' CD2' ' A' ' 102' ' ' HIS . 11.7 mt -39.64 120.77 1.41 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.98 4.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -58.85 -31.15 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.588 HD13 ' HA ' ' A' ' 85' ' ' PRO . 0.7 OUTLIER -72.9 -35.86 67.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 115' ' ' HIS . 15.2 t-80 -91.56 34.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.571 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.68 -66.26 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 40.0 t-105 -65.31 -78.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.561 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.6 ptmm? 38.81 39.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -53.24 -45.71 98.21 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.638 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.98 -47.82 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.056 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.2 tp-100 62.64 -62.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.6 t -53.68 167.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.047 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -134.09 -179.43 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.832 HD23 HG21 ' A' ' 28' ' ' VAL . 3.1 tp -59.08 -41.69 88.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 27' ' ' ASN . 9.8 mp -66.48 -56.48 10.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.17 -48.13 85.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.9 tt -47.16 -54.05 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.485 HG22 HD13 ' A' ' 132' ' ' ILE . 72.9 mt -59.03 -33.17 49.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -58.04 -35.44 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.08 -45.47 83.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 8.8 ttm -59.9 -32.12 70.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 1.058 HD11 HD13 ' A' ' 59' ' ' ILE . 1.4 mp -68.89 -41.43 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.407 1.067 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.4 t -72.14 -32.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 25.1 t -72.86 -46.32 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.412 ' CG ' ' HG3' ' A' ' 140' ' ' PRO . 3.7 m-30 -76.82 -3.62 39.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -96.42 -29.54 8.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.115 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.88 -41.84 28.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.32 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 146.91 54.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 110.287 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 113.12 3.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.412 ' HG3' ' CG ' ' A' ' 135' ' ' PHE . 18.2 Cg_endo -75.04 -23.31 13.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.56 HG23 ' HA ' ' A' ' 97' ' ' ILE . 13.8 p -174.7 63.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 44.8 p90 -65.28 126.78 29.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.5 t -84.95 164.14 18.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 59.72 114.83 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.097 -0.386 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -64.18 149.59 93.92 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.536 ' HB2' ' HE1' ' A' ' 95' ' ' MET . 18.7 Cg_endo -74.92 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.401 1.738 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.699 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 76.81 -54.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.37 149.93 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.542 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 142.25 27.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.446 1.761 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 -170.39 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.431 1.753 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.79 152.83 37.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.42 -22.29 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.431 ' HB3' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -88.55 -23.54 23.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -38.77 -31.23 0.06 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -61.79 -55.41 30.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -66.07 -37.13 85.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.717 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -55.96 -57.57 11.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -26.72 2.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -81.79 -32.63 31.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.669 ' CB ' HD13 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -73.47 -11.27 60.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -114.89 -93.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.535 ' H ' HG23 ' A' ' 12' ' ' VAL . 1.4 t 85.68 -57.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.057 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -125.2 69.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 53' ' ' MET . 5.2 t80 -155.82 120.11 4.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' CA ' ' O ' ' A' ' 78' ' ' ASP . 14.6 tttt 42.77 32.65 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 20' ' ' LEU . 43.9 m-85 55.1 85.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.69 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.3 ptt180 -42.31 -31.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -68.31 -47.03 68.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' TYR . 2.3 mm? -73.42 -31.86 64.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.3 m -74.92 -59.23 2.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 26' ' ' VAL . 78.6 t -51.24 -35.42 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -71.85 -36.07 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.62 -40.1 43.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -64.51 -52.36 58.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 22' ' ' VAL . 29.2 m -58.04 -43.8 85.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.676 ' HB3' HD21 ' A' ' 125' ' ' LEU . 4.3 m-20 -58.18 -41.26 83.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.79 -66.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' LYS . 18.2 pt -55.53 -26.54 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 1.8 m -70.67 -25.97 63.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 tp -87.96 -48.27 7.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.453 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 12.8 m-85 -93.42 -61.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 83.9 5.79 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.27 -21.5 13.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.65 153.07 29.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -129.87 123.07 20.79 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.37 5.62 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG13 ' CG ' ' A' ' 54' ' ' ASN . 1.5 p -119.02 163.95 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.823 HD23 ' H ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -132.42 179.1 6.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.823 ' H ' HD23 ' A' ' 39' ' ' LEU . 16.4 p-10 -179.08 150.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.21 105.93 12.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -118.73 149.26 41.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 49' ' ' SER . 15.4 m -78.74 140.58 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -146.07 -59.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' C ' ' N ' ' A' ' 47' ' ' GLY . 36.6 m-20 -55.7 94.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 t70 43.03 28.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.16 63.8 1.25 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.533 1.145 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.37 116.87 10.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 0.756 . . . . 0.0 109.977 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.418 ' N ' HG12 ' A' ' 43' ' ' VAL . 2.7 p -40.32 138.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.936 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -143.78 135.54 26.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 2.1 mp0 -76.3 108.47 9.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.409 HD22 ' CE3' ' A' ' 75' ' ' TRP . 6.3 tt -118.06 140.09 50.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.578 ' HB2' ' CE1' ' A' ' 15' ' ' TYR . 4.3 mtp -102.01 138.7 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.574 ' CG ' HG13 ' A' ' 38' ' ' VAL . 6.9 p-10 -132.79 162.74 30.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.557 HD22 ' C ' ' A' ' 54' ' ' ASN . 3.1 mm? -119.32 152.96 35.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -160.37 166.49 29.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 110.368 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 134.78 -178.92 18.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.572 1.17 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 p -114.49 120.46 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 0.804 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.72 HG23 ' HD2' ' A' ' 60' ' ' PRO . 79.8 mt -89.13 142.53 30.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.72 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.07 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.39 115.1 56.01 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.02 42.89 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -130.57 -148.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 53.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.25 13.61 7.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.467 ' C ' ' HG1' ' A' ' 67' ' ' THR . 0.2 OUTLIER -147.31 175.77 10.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 0.795 . . . . 0.0 109.253 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.467 ' HG1' ' C ' ' A' ' 66' ' ' ASN . 53.8 m -156.49 107.45 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.449 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.531 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 6.3 m-85 -95.46 -174.93 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.5 OUTLIER -118.0 122.12 42.4 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.581 1.176 . . . . 0.0 109.22 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -116.34 127.74 26.53 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.644 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.96 154.68 42.88 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 71' ' ' PRO . 12.7 mt -157.46 147.62 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.615 ' O ' HD22 ' A' ' 74' ' ' LEU . 7.1 t -128.43 131.84 48.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 73' ' ' CYS . 4.1 mm? -125.59 131.96 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' A' ' 54' ' ' ASN . 19.5 m95 -102.88 97.64 7.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mp -72.9 134.62 44.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.557 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -80.39 -165.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -99.64 -43.28 6.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.5 OUTLIER 173.18 55.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.533 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER 175.34 142.51 0.21 Allowed Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.536 1.147 . . . . 0.0 111.047 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -75.08 -30.71 5.82 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.031 -2.487 . . . . 0.0 110.952 0.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 10.1 m-85 -166.11 -40.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.7 ' OD1' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -130.12 170.15 11.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.416 ' HD2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.98 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.692 ' HB3' HD13 ' A' ' 114' ' ' LEU . 18.4 Cg_endo -74.95 -31.11 6.57 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.9 mt -82.33 106.93 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.555 ' O ' HD12 ' A' ' 109' ' ' ILE . 17.3 m -140.2 110.71 6.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 108.283 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 3.0 p90 -141.38 174.38 10.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.6 p -105.7 149.1 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' CG ' ' HB2' ' A' ' 73' ' ' CYS . 0.4 OUTLIER -117.56 80.22 13.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.29 14.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.483 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 77.1 p -90.75 -135.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.3 -43.35 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.955 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -10.73 60.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.6 mtt -69.09 -178.28 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.1 m -145.45 105.06 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mt -70.27 144.78 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.224 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.32 89.02 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.3 p -65.52 144.02 57.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 174.46 -138.65 4.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -92.39 39.91 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.77 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.459 ' NE2' HG13 ' A' ' 134' ' ' VAL . 15.7 m170 -151.67 -46.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 104' ' ' ASP . 1.9 t -117.62 168.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 9.9 t0 -108.93 -63.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 177.38 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -87.48 11.1 15.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.632 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 82.63 5.88 89.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -77.93 129.12 34.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.761 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 87' ' ' CYS . 30.6 mt -57.52 130.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -93.33 49.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.0 mt -147.14 156.74 46.73 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.3 Cg_endo -75.06 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.581 1.832 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.453 ' OH ' HG12 ' A' ' 130' ' ' VAL . 1.1 m-85 60.72 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.692 HD13 ' HB3' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -61.81 -30.87 71.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -98.33 26.1 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.613 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.7 -70.96 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.486 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 37.3 t-105 -70.68 -79.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.527 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 17.8 ptmt 43.11 42.7 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.972 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -53.97 -46.01 98.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.599 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.972 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.94 -47.13 0.32 Allowed 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.042 -0.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 59.86 -68.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -48.32 160.3 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.052 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 126' ' ' GLY . 7.3 m-20 -133.57 166.65 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.8 tp -43.11 -31.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.676 HD21 ' HB3' ' A' ' 27' ' ' ASN . 6.9 mp -68.09 -50.22 56.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -65.87 -47.45 74.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.7 HD12 ' OD1' ' A' ' 83' ' ' ASN . 4.3 tt -44.15 -51.34 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 64.9 mt -71.62 -27.74 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 133' ' ' VAL . 13.5 tt0 -67.23 -46.63 73.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.453 HG12 ' OH ' ' A' ' 113' ' ' TYR . 17.2 t -59.9 -45.8 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.43 ' SD ' HD11 ' A' ' 109' ' ' ILE . 19.3 ttm -63.24 -41.22 99.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.441 HD11 HD13 ' A' ' 59' ' ' ILE . 36.9 mt -59.49 -27.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 129' ' ' GLN . 73.3 t -79.44 -32.01 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.459 HG13 ' NE2' ' A' ' 102' ' ' HIS . 92.3 t -81.22 -35.15 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.3 m-85 -101.89 18.83 19.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -114.42 -28.69 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.27 -63.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -97.25 162.09 23.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.469 ' HG2' ' CD1' ' A' ' 70' ' ' ILE . 18.4 Cg_endo -75.02 -25.8 11.49 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 141' ' ' VAL . 8.3 p -174.97 60.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -57.58 134.62 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 208' ' ' THR . 0.7 OUTLIER -91.46 170.24 10.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -131.24 98.91 18.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.43 1.753 . . . . 0.0 110.958 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.458 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.8 pt-20 -48.52 148.89 3.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.483 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.95 -89.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.427 1.751 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.712 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 78.78 -53.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.96 149.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.344 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.531 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.03 139.2 23.94 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.446 1.761 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.02 -169.43 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.14 161.2 27.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.528 ' HB3' ' CB ' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.19 -36.69 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -89.38 -43.01 11.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.528 ' CB ' ' HB3' ' A' ' 2' ' ' ALA . 18.1 tt0 -38.31 -45.27 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -51.07 71.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -66.1 -37.92 86.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.826 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.3 tp -58.9 -58.42 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -50.17 -32.59 16.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -81.83 -28.13 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.231 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' LEU . 24.6 mtp -76.6 -0.88 24.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.826 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -137.42 -93.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.565 ' H ' HG23 ' A' ' 12' ' ' VAL . 27.8 t 50.58 24.22 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -131.62 -47.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.211 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 3.3 m-85 -37.49 144.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' CB ' HG21 ' A' ' 79' ' ' THR . 11.9 tttt -55.06 -47.06 75.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.068 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -113.71 51.21 0.87 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.583 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -46.11 -42.81 14.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -62.84 -57.69 9.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.13 -34.79 66.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.6 m -71.78 -49.67 36.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' ' 26' ' ' VAL . 42.3 t -59.77 -45.38 94.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' HA ' HG22 ' A' ' 26' ' ' VAL . 1.8 ttm180 -60.26 -35.78 76.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.674 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -73.23 -33.94 65.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.089 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.538 HG23 HD21 ' A' ' 55' ' ' LEU . 53.0 m -74.48 -52.02 13.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 22' ' ' VAL . 34.9 m -59.05 -42.35 86.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.435 ' HB3' HD11 ' A' ' 125' ' ' LEU . 11.1 m-20 -56.05 -45.47 79.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 24' ' ' GLU . 40.8 t -57.71 -67.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.402 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 3.4 pt -52.89 -23.63 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.9 m -78.3 -27.73 47.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.457 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 32' ' ' TYR . 1.5 tp -84.67 -46.68 11.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.526 ' CE1' HD23 ' A' ' 31' ' ' LEU . 32.1 m-85 -103.34 -62.56 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 2.4 ttpp 87.14 7.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.46 -13.61 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.414 ' CD2' HG11 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -82.15 150.86 27.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.01 112.39 18.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -75.0 120.41 6.05 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -121.16 160.65 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -121.76 121.14 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -126.65 155.35 42.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 11.9 t -140.81 124.19 16.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.5 t80 -129.78 165.25 22.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.503 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 8.8 m -84.72 139.96 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 23.9 m-85 -142.7 -63.76 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.37 96.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t0 45.35 27.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.6 52.4 2.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.588 1.18 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.34 114.91 21.99 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 0.741 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.9 p -45.85 133.68 8.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.13 140.42 37.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.57 120.44 23.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 44' ' ' PHE . 1.5 mt -134.85 118.96 17.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -74.78 153.69 38.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' ND2' HG13 ' A' ' 38' ' ' VAL . 7.2 p-10 -154.11 156.1 36.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.538 HD21 HG23 ' A' ' 25' ' ' THR . 0.9 OUTLIER -126.4 144.42 50.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.2 t -151.59 137.05 17.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.462 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 174.79 178.57 44.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.555 1.159 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.3 p -110.42 101.64 10.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 110.336 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.74 HD12 HG12 ' A' ' 132' ' ' ILE . 15.6 pt -76.41 148.68 80.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.5 2.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.5 t -100.99 112.6 65.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.421 1.075 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 153.5 41.47 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.424 1.75 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.2 OUTLIER -130.04 16.03 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 80.02 60.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.349 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 131.93 -27.72 3.62 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -139.89 140.65 36.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.3 m -121.6 108.7 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.54 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.6 m-85 -85.95 -166.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.3 OUTLIER -126.01 107.19 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -105.16 127.96 27.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.474 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -74.97 153.79 42.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.515 1.797 . . . . 0.0 111.075 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.7 mt -151.68 137.45 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.6 t -133.46 133.46 42.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.565 ' H ' HD23 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -151.28 154.3 36.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -106.79 146.26 31.1 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.495 HD12 ' HB3' ' A' ' 84' ' ' PRO . 3.5 tp -114.4 130.12 56.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.07 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.37 -167.55 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.584 ' HA ' ' CD1' ' A' ' 15' ' ' TYR . 1.5 p-10 -80.15 -61.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.442 HG21 ' CB ' ' A' ' 16' ' ' LYS . 1.5 t -175.48 51.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.608 ' CD1' ' HA ' ' A' ' 81' ' ' PRO . 41.6 t80 -166.28 144.15 4.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.608 ' HA ' ' CD1' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -74.99 -27.6 8.21 Favored 'Cis proline' 0 C--N 1.359 1.106 0 C-N-CA 121.034 -2.486 . . . . 0.0 110.973 -0.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 172.19 36.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 165.72 161.0 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.495 ' HB3' HD12 ' A' ' 76' ' ' LEU . 18.3 Cg_endo -74.9 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.79 16.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.423 1.749 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.9 mm -95.62 104.0 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.549 ' O ' HG22 ' A' ' 109' ' ' ILE . 53.5 m -143.03 115.35 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 108.281 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.43 ' CB ' ' HA ' ' A' ' 108' ' ' LYS . 9.9 p90 -158.25 147.33 19.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 107' ' ' GLY . 7.6 p -68.16 140.92 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 4.4 ttmt -118.01 79.7 14.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -74.95 -178.29 4.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.537 1.809 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.0 p -97.04 -140.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.9 -37.29 3.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.051 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -77.04 -0.8 25.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.0 mtt -78.42 -167.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.3 m -153.78 83.86 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.493 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -54.72 143.32 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -124.08 115.37 21.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.214 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 104' ' ' ASP . 4.8 p -79.24 148.04 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.37 -149.38 7.3 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.517 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 8.0 mtmt -91.94 38.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 0.811 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.603 ' CD2' HD21 ' A' ' 111' ' ' LEU . 40.1 m170 -144.33 -49.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.505 HG22 ' CZ ' ' A' ' 135' ' ' PHE . 26.2 t -114.15 163.58 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.643 ' O ' HG22 ' A' ' 99' ' ' THR . 0.4 OUTLIER -95.1 -59.81 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.416 1.072 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 170.35 -35.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.63 5.95 25.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.526 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 83.97 11.3 79.26 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -74.98 119.04 18.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 135' ' ' PHE . 0.4 OUTLIER -64.67 125.9 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.61 122.14 17.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.869 ' CD1' HG11 ' A' ' 134' ' ' VAL . 0.2 OUTLIER -165.94 150.24 7.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 42.25 0.82 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.57 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.3 p90 -108.05 -41.74 4.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.066 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.57 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 4.7 tt -54.34 -51.74 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -92.81 42.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.665 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.27 -76.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 38.2 t-105 -57.93 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 107.996 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.577 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 37.58 39.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.991 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -52.45 -45.71 95.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.666 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.991 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.95 -47.09 0.32 Allowed 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.987 -0.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 7.2 tp-100 62.78 -64.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 120' ' ' PRO . 8.6 t -41.71 155.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -128.52 167.76 16.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.426 HD23 HG21 ' A' ' 28' ' ' VAL . 5.3 tp -43.89 -36.97 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 27' ' ' ASN . 7.5 mp -61.25 -59.28 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.31 -36.78 77.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.52 -63.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.469 ' HA ' ' CG ' ' A' ' 131' ' ' MET . 66.6 mt -58.76 -17.0 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -80.62 -41.37 24.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -49.99 81.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 128' ' ' ILE . 9.8 ptp -64.06 -33.77 76.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 59' ' ' ILE . 8.3 mt -64.45 -28.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.71 -36.57 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.869 HG11 ' CD1' ' A' ' 111' ' ' LEU . 70.5 t -75.61 -49.77 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 4.6 m-85 -87.81 17.52 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -109.95 -30.14 3.55 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.64 -64.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.46 158.28 43.39 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.072 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 113.08 3.71 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.576 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.5 Cg_endo -74.99 -28.57 9.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.568 1.825 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 97' ' ' ILE . 6.9 p -171.33 60.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.482 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 13.9 p90 -60.2 125.34 23.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' B' ' 208' ' ' THR . 1.2 t -83.44 173.03 11.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.4 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -95.52 167.0 13.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.557 1.819 . . . . 0.0 110.972 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.825 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -62.96 148.75 91.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.474 ' CB ' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.02 -83.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.704 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.91 -54.59 0.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.467 1.104 . . . . 0.0 110.351 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.74 150.67 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.54 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 137.8 22.35 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.07 -170.93 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.3 OUTLIER -98.31 -145.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.346 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 p -108.33 -6.97 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -76.15 -11.98 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.7 ' HA ' HD23 ' A' ' 8' ' ' LEU . 1.1 pt-20 -35.68 -36.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -62.02 -57.94 9.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.16 . . . . 0.0 110.043 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.5 OUTLIER -72.32 -27.1 62.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.188 . . . . 0.0 110.281 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.845 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -62.14 -30.46 71.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.64 -33.72 66.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -85.47 -9.82 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 8' ' ' LEU . 26.4 mtm -84.42 -30.79 25.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.664 HG23 ' H ' ' A' ' 13' ' ' SER . 2.1 m -86.32 -101.77 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.157 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.664 ' H ' HG23 ' A' ' 12' ' ' VAL . 1.3 p 52.92 22.42 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.41 25.88 7.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.019 ' CD2' HG21 ' A' ' 21' ' ' THR . 17.1 m-85 -120.76 148.28 44.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' CB ' HG21 ' A' ' 79' ' ' THR . 1.3 tptt -42.89 -42.97 3.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 4.9 m-85 -135.99 81.4 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -54.25 -42.57 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -55.4 35.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.43 -36.61 84.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 1.019 HG21 ' CD2' ' A' ' 15' ' ' TYR . 70.2 m -64.09 -48.43 76.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.942 ' O ' HG22 ' A' ' 26' ' ' VAL . 2.8 t -67.22 -39.21 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 13.1 ttt85 -64.15 -32.57 74.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' HB3' HD22 ' A' ' 124' ' ' LEU . 7.5 mm-40 -76.78 -39.24 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.4 m -69.75 -48.14 60.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.436 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.942 HG22 ' O ' ' A' ' 22' ' ' VAL . 25.5 m -63.93 -37.13 78.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -59.48 -41.18 89.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 t -59.15 -68.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 33' ' ' LYS . 46.6 pt -53.63 -27.2 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.2 m -72.25 -26.03 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.385 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD13 HD23 ' A' ' 125' ' ' LEU . 0.9 OUTLIER -86.53 -47.0 9.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.463 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 42.1 m-85 -95.09 -63.69 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.407 1.067 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 16.0 ttmt 85.25 12.95 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.79 -23.92 11.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -79.59 142.48 35.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -119.02 119.03 32.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 129.38 12.23 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.17 144.32 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.538 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -98.96 127.45 44.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.538 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -117.56 156.89 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.1 t -147.44 118.25 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -138.09 155.49 48.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 m -81.88 149.73 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -154.3 -64.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -55.25 93.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 48.31 26.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.22 41.16 5.6 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.5 1.125 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 t -112.8 124.95 53.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 0.793 . . . . 0.0 109.992 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.6 p -42.42 145.46 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -138.0 137.31 37.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.9 100.33 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.51 135.13 54.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -100.12 142.64 31.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -139.11 156.06 47.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.7 154.04 37.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.364 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 5.7 t -166.6 135.75 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.461 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.25 -162.68 25.66 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 p -120.23 99.8 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 0.803 . . . . 0.0 110.338 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.597 HG23 ' HD2' ' A' ' 60' ' ' PRO . 39.9 mt -77.47 140.76 64.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.06 112.29 3.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.54 112.04 65.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo -75.02 156.31 42.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 110.953 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -136.83 16.66 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.597 1.186 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.1 62.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.19 -30.72 3.0 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.33 130.37 26.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 69.4 m -113.72 106.28 14.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 2.4 m-85 -86.82 -166.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.2 OUTLIER -131.27 124.61 30.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -113.52 141.73 26.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.03 145.87 31.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.425 HG13 HD12 ' A' ' 59' ' ' ILE . 7.4 mm -141.1 151.67 19.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 88' ' ' PHE . 10.6 t -159.71 137.25 9.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.343 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.4 pt? -159.6 165.25 33.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.477 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 29.5 m95 -108.91 146.91 33.0 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 tp -112.61 112.14 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 mp -76.55 -164.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.3 OUTLIER -86.33 -61.79 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.51 HG21 ' CB ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 176.21 44.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.393 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.531 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -153.52 140.4 12.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.58 ' HG2' HD11 ' A' ' 114' ' ' LEU . 18.2 Cg_endo -75.04 -15.49 22.29 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.947 0.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.574 ' CG ' ' O ' ' A' ' 81' ' ' PRO . 8.0 m-85 -170.34 -40.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -143.5 155.78 60.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -4.61 15.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.559 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 4.5 mm -87.46 112.7 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.401 ' O ' HD12 ' A' ' 109' ' ' ILE . 58.1 m -147.96 117.04 6.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 108.341 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CZ ' HG23 ' A' ' 86' ' ' ILE . 9.8 m-85 -126.92 -174.58 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.049 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.951 HG12 ' O ' ' A' ' 107' ' ' GLY . 11.5 p -130.51 156.22 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 44.9 mmtt -122.54 77.14 46.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.564 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.93 162.05 37.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.473 HG23 ' HE1' ' A' ' 95' ' ' MET . 70.8 p -89.85 -172.18 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -23.66 22.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.54 -17.77 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.474 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.7 mtt -64.06 169.78 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 92.7 m -139.06 86.54 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.561 ' HA ' HG23 ' A' ' 141' ' ' VAL . 1.8 mt -42.8 146.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -120.61 99.08 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.828 HG22 ' O ' ' A' ' 104' ' ' ASP . 20.4 p -64.59 139.17 58.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.09 -148.06 4.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.21 -7.86 52.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.548 ' CE1' HG21 ' A' ' 134' ' ' VAL . 3.0 m-70 -105.57 -65.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.384 1.052 . . . . 0.0 109.594 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 t -78.65 162.62 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.589 1.18 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.828 ' O ' HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -108.95 -65.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 169.85 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.0 -21.59 61.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.951 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 105.73 6.14 38.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.571 1.169 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.85 124.86 48.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 87' ' ' CYS . 5.8 mt -67.24 149.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -112.07 -33.71 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.498 ' HG ' ' CE1' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -44.09 122.51 4.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 115' ' ' HIS . 18.1 Cg_endo -75.05 58.52 4.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -44.15 -25.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.58 HD11 ' HG2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -79.74 -44.28 21.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 112' ' ' PRO . 0.2 OUTLIER -97.0 39.79 1.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.605 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.09 -75.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 110.275 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.474 ' CH2' ' CE1' ' A' ' 119' ' ' HIS . 26.9 t-105 -74.29 -80.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.01 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.548 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER 44.03 41.91 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.968 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.1 -45.79 98.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.565 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.968 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.04 -47.82 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.998 0.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 2.0 tm0? 60.47 -68.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -49.84 161.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 127' ' ' LEU . 2.0 m-20 -134.13 172.53 12.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 24' ' ' GLU . 13.5 tp -44.12 -43.68 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 31' ' ' LEU . 9.0 mp -66.28 -46.68 76.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.45 -27.87 72.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.095 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.601 HD23 ' C ' ' A' ' 127' ' ' LEU . 5.2 tt -62.08 -60.38 3.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.472 ' N ' HD23 ' A' ' 127' ' ' LEU . 4.2 mt -59.22 -27.92 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -40.66 90.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.0 t -60.21 -48.13 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 5.0 ttm -61.46 -36.7 81.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 59' ' ' ILE . 12.2 mt -62.89 -30.3 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.4 t -72.59 -37.65 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.548 HG21 ' CE1' ' A' ' 102' ' ' HIS . 20.0 t -78.38 -43.92 26.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.447 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 5.4 m-85 -87.85 17.06 5.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.0 -38.25 1.06 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -65.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.93 160.49 29.04 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.447 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.2 Cg_endo -75.03 -25.63 11.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.561 HG23 ' HA ' ' A' ' 97' ' ' ILE . 7.5 p -174.44 58.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 142' ' ' PHE . 24.7 p90 -57.58 124.99 20.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 5.1 t -91.37 178.16 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.949 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.452 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.4 OUTLIER -89.59 152.71 47.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.528 1.804 . . . . 0.0 111.071 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.4 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.7 pt-20 -58.85 152.48 48.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.474 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -75.07 -84.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.73 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.19 -55.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.443 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.86 148.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.255 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.564 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 135.4 19.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.433 1.754 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 168.28 25.18 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.443 1.759 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -86.32 155.4 20.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 t -106.69 -36.9 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -84.45 -14.36 49.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.004 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' SER . 6.2 pt-20 -37.43 -33.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.33 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER -65.34 -56.01 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -64.95 -21.93 66.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.687 ' O ' HG22 ' A' ' 12' ' ' VAL . 3.5 tp -61.04 -58.26 9.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -28.06 46.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 -20.65 29.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 10.2 mtp -81.64 -29.28 33.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -86.52 -98.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.611 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER 51.96 21.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -118.04 -41.61 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.238 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 3.3 m-85 -52.69 145.73 11.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 3.2 tttp -49.09 -56.76 8.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.421 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 1.7 m-85 -112.54 67.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 10.4 ttp-105 -48.89 -46.19 42.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 3.9 p-10 -55.61 -50.49 70.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.625 HD23 ' OH ' ' A' ' 80' ' ' TYR . 8.7 mp -62.45 -35.05 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 25' ' ' THR . 19.7 m -66.13 -55.85 14.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.403 1.064 . . . . 0.0 110.419 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.953 ' O ' HG22 ' A' ' 26' ' ' VAL . 13.8 t -52.27 -45.94 44.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -42.95 96.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -30.15 64.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 21' ' ' THR . 29.4 m -74.85 -52.54 11.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.424 1.078 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.953 HG22 ' O ' ' A' ' 22' ' ' VAL . 16.3 m -62.97 -35.19 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -59.24 -47.69 84.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.378 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 t -55.37 -67.23 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.7 pt -53.28 -27.84 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.1 m -72.32 -20.22 61.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tp -91.25 -47.88 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 25.1 m-85 -90.27 -60.24 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 4.1 ttpp 85.98 5.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -111.04 -23.31 11.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.65 ' O ' HG22 ' A' ' 29' ' ' ILE . 1.7 tp -75.84 131.12 39.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -112.98 124.57 31.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.922 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.9 125.54 9.45 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.495 HG13 ' ND2' ' A' ' 54' ' ' ASN . 1.0 OUTLIER -116.95 157.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -112.64 140.66 47.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.614 ' N ' HD13 ' A' ' 39' ' ' LEU . 2.5 p30 -141.1 158.71 43.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.07 133.12 27.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -149.82 152.23 34.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.469 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 16.3 m -81.91 146.71 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 43' ' ' VAL . 20.7 m-85 -150.06 -63.77 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.411 ' C ' ' N ' ' A' ' 47' ' ' GLY . 6.8 t30 -50.66 94.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' PHE . 14.4 t70 44.67 27.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 90.71 50.45 2.9 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 t -124.93 124.61 42.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.83 146.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.45 139.8 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.79 102.31 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.735 HD21 ' O ' ' A' ' 76' ' ' LEU . 5.2 tt -116.3 129.49 56.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.511 ' HG2' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.6 141.41 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.495 ' ND2' HG13 ' A' ' 38' ' ' VAL . 5.6 p-10 -135.63 165.49 25.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 37' ' ' PRO . 77.7 mt -120.59 158.22 27.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.6 t -170.53 126.95 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . -174.62 -176.71 43.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.614 1.196 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 24.8 p -111.03 99.34 8.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 0.721 . . . . 0.0 110.465 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.92 HD12 HG12 ' A' ' 132' ' ' ILE . 32.1 pt -74.0 142.97 80.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 17.9 Cg_endo -75.15 107.94 2.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 110.942 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -94.37 123.66 57.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.484 ' CA ' HG23 ' A' ' 67' ' ' THR . 18.2 Cg_endo -75.06 150.16 37.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 66' ' ' ASN . 2.0 t80 -122.19 -148.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -95.24 7.21 46.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.245 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . 169.94 46.49 0.03 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.512 1.133 . . . . 0.0 111.033 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 4.3 p30 159.46 176.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 0.721 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.484 HG23 ' CA ' ' A' ' 62' ' ' PRO . 5.4 m -135.43 120.54 18.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.2 m-85 -89.35 -168.24 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.7 OUTLIER -127.43 108.32 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.468 HD12 ' HD3' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -107.58 128.65 25.49 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.47 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.4 Cg_endo -75.06 164.12 33.87 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 73' ' ' CYS . 0.0 OUTLIER -163.15 167.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.224 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.513 ' N ' HG23 ' A' ' 72' ' ' ILE . 6.4 t -161.76 145.79 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -163.99 156.56 17.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.722 ' CD1' HG21 ' A' ' 86' ' ' ILE . 13.7 m95 -100.78 154.18 18.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.735 ' O ' HD21 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -114.51 151.8 32.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.755 HD12 ' C ' ' A' ' 83' ' ' ASN . 0.8 OUTLIER -95.63 -170.77 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.33 20.01 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 79' ' ' THR . 52.0 m -136.82 14.86 3.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.625 ' OH ' HD23 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -41.41 162.65 0.12 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.4 Cg_endo -74.96 131.12 23.14 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.061 -0.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.453 ' HB3' HD13 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -170.93 -56.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 110.937 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.755 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER 61.46 135.06 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.518 ' N ' HD12 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.99 150.77 38.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.411 1.743 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.437 ' HA ' HD13 ' A' ' 114' ' ' LEU . 18.1 Cg_endo -75.06 56.08 4.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.722 HG21 ' CD1' ' A' ' 75' ' ' TRP . 14.3 mm -129.79 86.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.7 m -130.29 101.54 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 108.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 8.3 p90 -135.88 163.0 31.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.824 HG12 ' O ' ' A' ' 107' ' ' GLY . 3.3 p -90.17 163.18 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' N ' HG22 ' A' ' 89' ' ' VAL . 6.9 mmtt -125.27 74.43 67.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.509 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.96 156.32 43.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.5 p -83.03 -155.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.2 p -100.33 -39.5 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -9.97 59.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.1 mtt -69.82 -175.37 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.487 ' C ' HG23 ' A' ' 141' ' ' VAL . 88.1 m -156.76 108.23 2.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.485 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.639 HD11 ' HA2' ' A' ' 107' ' ' GLY . 1.1 tt -76.57 136.03 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.37 120.85 43.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 104' ' ' ASP . 21.7 p -73.12 140.05 46.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.348 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.68 -156.81 9.87 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 2.8 mtmt -88.21 49.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 12.0 m80 -165.2 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.576 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.0 t -126.87 137.37 58.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.698 ' O ' HG22 ' A' ' 99' ' ' THR . 2.1 t0 -81.55 -66.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 166.27 40.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -134.19 -34.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.824 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 118.63 -6.15 14.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.16 134.07 34.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 0.798 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 72.6 mt -75.55 130.43 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -86.11 -49.02 8.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 2.1 mm? -40.82 113.75 1.05 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 109.261 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 56.66 4.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 38.2 m-85 -58.77 -29.84 67.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 85' ' ' PRO . 6.0 tt -73.07 -39.84 65.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -93.56 32.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -123.09 -73.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.442 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.3 t-105 -62.53 -80.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.564 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 14.0 tttp 45.87 43.18 9.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.987 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.51 -45.64 98.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.584 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.987 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 -45.6 0.44 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.997 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 5.0 tm0? 59.99 -70.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.591 ' N ' ' O ' ' A' ' 120' ' ' PRO . 3.4 t -40.17 159.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -125.36 175.2 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.606 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.4 OUTLIER -55.58 -47.52 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.356 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 125' ' ' LEU . 7.0 mp -55.88 -44.39 78.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.17 -34.94 87.67 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.2 tt -54.36 -59.46 4.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.794 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.1 mp -63.59 -22.54 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.93 -42.43 76.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.2 -45.63 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.26 -40.15 95.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.92 HG12 HD12 ' A' ' 59' ' ' ILE . 32.0 mt -59.19 -31.79 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.4 t -78.14 -47.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.74 -47.89 89.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.239 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -90.03 26.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.65 -5.66 10.95 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.47 1.106 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.73 -61.57 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -101.05 157.86 32.87 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -26.99 10.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.564 HG23 ' CA ' ' A' ' 97' ' ' ILE . 13.4 p -171.65 62.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.577 1.173 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 10.5 p90 -58.73 133.68 56.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.8 t -96.43 175.07 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.432 ' N ' ' OG ' ' A' ' 143' ' ' SER . 3.4 mmt180 -81.88 160.45 63.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.963 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.432 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.3 pt-20 -52.05 150.98 7.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.596 1.185 . . . . 0.0 110.362 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.47 ' CB ' ' HG3' ' A' ' 71' ' ' PRO . 18.2 Cg_endo -74.98 -85.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.413 1.744 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.731 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.91 -55.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.24 149.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 138.63 23.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.94 177.3 8.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.443 1.76 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -98.47 158.48 15.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.8 pt-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -105.6 -43.73 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER -81.62 -12.66 58.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -44.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.45 -48.03 83.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -71.12 -32.21 68.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -54.39 -38.12 65.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -27.78 69.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -84.26 -19.0 34.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.904 ' HB3' HD23 ' A' ' 39' ' ' LEU . 63.5 mtt -76.12 0.58 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.483 HG23 ' H ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -134.28 -92.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.483 ' H ' HG23 ' A' ' 12' ' ' VAL . 23.1 t 38.45 30.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' VAL . 9.1 mttp -152.46 -45.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.641 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.6 m-30 -37.27 146.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -45.79 -44.43 14.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 9.8 m-85 -132.84 76.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -52.07 -40.39 61.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.28 -57.98 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 17' ' ' TYR . 10.9 mp -53.89 -37.49 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.641 HG21 ' CD2' ' A' ' 15' ' ' TYR . 65.4 m -68.09 -52.7 32.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.656 ' O ' HG13 ' A' ' 26' ' ' VAL . 17.7 t -61.31 -46.69 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HA ' HG22 ' A' ' 26' ' ' VAL . 1.2 tpt180 -60.31 -31.89 70.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -77.53 -43.32 32.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.6 m -67.26 -44.53 79.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.452 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.656 HG13 ' O ' ' A' ' 22' ' ' VAL . 19.6 m -66.8 -40.73 86.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.801 ' HB3' HD11 ' A' ' 125' ' ' LEU . 10.9 m-20 -55.43 -45.22 76.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 24' ' ' GLU . 55.4 t -57.61 -68.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.438 ' O ' ' CA ' ' A' ' 33' ' ' LYS . 26.2 pt -53.41 -21.01 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.3 m -79.96 -30.88 39.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.627 HD23 ' CZ ' ' A' ' 32' ' ' TYR . 2.4 tp -81.71 -52.23 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.627 ' CZ ' HD23 ' A' ' 31' ' ' LEU . 51.0 m-85 -99.9 -58.48 1.91 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' CA ' ' O ' ' A' ' 29' ' ' ILE . 4.0 ttpp 81.39 20.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.05 -23.82 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.591 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 3.0 mm? -79.26 178.75 7.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -159.68 119.39 1.68 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.58 11.61 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.788 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.44 156.76 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.904 HD23 ' HB3' ' A' ' 11' ' ' MET . 0.4 OUTLIER -105.01 122.19 45.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -124.27 155.48 38.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.426 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 6.4 t -139.67 121.16 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.4 t80 -152.38 156.53 39.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.584 HG12 ' N ' ' A' ' 49' ' ' SER . 12.0 m -80.95 141.61 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.5 m-85 -143.74 -58.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -57.16 88.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PHE . 12.1 t70 50.23 23.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.72 57.78 1.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.405 ' C ' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -131.31 108.83 9.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 110.007 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.584 ' N ' HG12 ' A' ' 43' ' ' VAL . 39.2 m -39.02 132.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.562 ' CZ ' HD11 ' A' ' 77' ' ' LEU . 2.1 ttm-85 -132.01 136.16 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.695 ' CG ' HD11 ' A' ' 39' ' ' LEU . 2.6 tt0 -106.48 130.33 54.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.248 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.828 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -165.39 154.59 12.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.577 ' SD ' HD13 ' A' ' 8' ' ' LEU . 37.5 ttp -83.12 128.36 34.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 55' ' ' LEU . 6.7 t30 -109.56 154.42 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.179 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 35' ' ' LEU . 4.3 mm? -104.32 136.37 44.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.55 137.39 22.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.401 1.063 . . . . 0.0 110.442 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 164.46 -167.8 38.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.571 1.169 . . . . 0.0 111.024 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 1.5 p -131.28 106.75 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 110.43 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.657 HD12 HG12 ' A' ' 132' ' ' ILE . 19.3 pt -83.74 148.28 54.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.96 113.05 3.7 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.401 1.737 . . . . 0.0 111.064 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.607 ' C ' HG23 ' A' ' 67' ' ' THR . 2.3 t -106.52 107.43 60.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.66 ' N ' HG23 ' A' ' 67' ' ' THR . 18.6 Cg_endo -74.93 157.03 43.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.758 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.455 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -135.42 15.11 3.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 3.4 ttt180 81.45 59.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.68 -27.55 3.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -143.59 136.77 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.66 HG23 ' N ' ' A' ' 62' ' ' PRO . 92.4 m -122.13 109.05 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.7 m-85 -85.14 -167.93 2.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.92 117.94 25.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -112.07 139.68 22.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.933 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -74.96 148.15 35.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.393 1.733 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.539 HD12 ' SD ' ' A' ' 131' ' ' MET . 27.2 mm -133.18 137.27 53.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 3.6 t -131.86 118.33 19.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.265 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.76 HD11 ' SG ' ' A' ' 87' ' ' CYS . 1.1 mm? -131.18 124.71 31.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.826 ' CE3' HD11 ' A' ' 52' ' ' LEU . 54.0 m95 -91.11 84.67 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 124' ' ' LEU . 1.5 tp -61.56 94.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.564 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 2.2 mm? -68.25 -170.98 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -102.81 -29.7 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER 175.37 62.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.373 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.638 ' CD2' ' HA ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -170.13 150.72 3.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.638 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -74.99 -50.2 0.2 OUTLIER 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.029 -2.488 . . . . 0.0 110.969 -0.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.547 ' CD2' ' HE2' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -117.75 -10.29 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.048 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.599 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER 153.38 -46.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.02 112.69 3.62 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.663 ' HG2' HD12 ' A' ' 74' ' ' LEU . 18.1 Cg_endo -75.07 -173.52 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.551 ' O ' HD13 ' A' ' 74' ' ' LEU . 7.2 mt -67.79 114.96 5.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.147 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.985 ' SG ' HD21 ' A' ' 127' ' ' LEU . 74.4 m -102.78 112.29 25.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.597 ' CZ ' ' SG ' ' A' ' 73' ' ' CYS . 3.6 p90 -159.51 142.17 13.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 71' ' ' PRO . 7.5 p -83.77 143.38 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -117.23 84.1 16.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 109.322 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.3 Cg_endo -74.93 177.2 8.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.76 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.404 HG23 ' SD ' ' A' ' 95' ' ' MET . 31.8 p -91.26 -159.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.374 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.0 m -99.86 -30.77 11.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.47 4.35 24.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.476 ' HE3' ' N ' ' B' ' 208' ' ' THR . 0.0 OUTLIER -98.16 -168.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.69 ' C ' HG23 ' A' ' 141' ' ' VAL . 93.7 m -152.77 112.47 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.471 ' N ' HG23 ' A' ' 141' ' ' VAL . 2.5 tt -81.51 149.59 4.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.42 113.2 25.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.5 p -99.92 139.39 35.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 110.409 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.96 -126.74 1.11 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -93.32 25.46 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.722 ' HA ' HD21 ' A' ' 111' ' ' LEU . 3.9 m170 -135.7 -63.85 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.586 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.596 HG12 ' H ' ' A' ' 104' ' ' ASP . 2.6 t -105.16 174.32 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.596 ' H ' HG12 ' A' ' 103' ' ' VAL . 1.3 t70 -114.6 -54.88 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 172.15 -41.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.84 -5.01 57.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.61 -13.64 61.0 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.585 1.178 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -60.39 131.31 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 25.7 mt -75.2 153.33 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.549 ' C ' HD22 ' A' ' 111' ' ' LEU . 8.5 t80 -144.54 67.94 1.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.722 HD21 ' HA ' ' A' ' 102' ' ' HIS . 4.4 mm? -125.94 152.08 72.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 53.9 3.48 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CD1' ' N ' ' A' ' 114' ' ' LEU . 4.9 p90 -108.88 -36.92 5.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 113' ' ' TYR . 0.6 OUTLIER -67.35 -39.06 85.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.98 34.51 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.551 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.48 -78.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.234 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 119' ' ' HIS . 4.0 t90 -49.5 -85.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.562 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 6.2 ttmt 39.63 44.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.969 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -55.14 -45.34 99.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.598 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.969 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.12 -44.36 0.57 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.962 -2.516 . . . . 0.0 110.993 0.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 21.4 tp60 58.9 -68.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 120' ' ' PRO . 7.7 t -38.95 157.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -132.07 176.8 8.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.379 1.049 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -52.77 -41.64 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.376 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.801 HD11 ' HB3' ' A' ' 27' ' ' ASN . 9.3 mp -59.46 -36.7 76.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 129' ' ' GLN . . . -70.36 -56.32 7.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.438 1.086 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.985 HD21 ' SG ' ' A' ' 87' ' ' CYS . 4.3 tt -41.27 -56.3 2.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.3 mp -57.97 -39.73 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.9 tt0 -60.22 -44.92 94.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 4.6 t -62.56 -35.23 69.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.539 ' SD ' HD12 ' A' ' 72' ' ' ILE . 49.3 ttm -73.85 -42.26 61.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.657 HG12 HD12 ' A' ' 59' ' ' ILE . 32.1 mt -59.58 -26.85 35.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 129' ' ' GLN . 53.7 t -78.65 -48.7 21.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.35 -41.19 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.533 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 7.2 m-85 -92.09 17.22 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.73 -16.15 7.07 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.428 1.08 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -101.8 -64.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.4 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 0.2 OUTLIER -91.86 156.85 42.23 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.822 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.533 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.97 -27.53 9.99 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.69 HG23 ' C ' ' A' ' 96' ' ' THR . 6.3 p -171.39 59.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 142' ' ' PHE . 19.2 p90 -58.79 127.34 31.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 1.2 t -89.68 175.58 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 143' ' ' SER . 13.6 mmt85 -122.28 159.81 50.63 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.448 1.762 . . . . 0.0 110.996 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -46.31 151.12 1.01 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.97 -80.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.534 1.807 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 73.95 -57.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.435 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.09 151.64 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.582 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.95 142.4 27.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.02 170.86 19.48 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.551 1.816 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.27 172.57 8.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.6 p -55.59 -42.56 69.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.7 OUTLIER -63.02 -60.09 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 110.007 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.576 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 49.9 mm-40 -42.72 -45.55 4.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -58.92 -40.4 84.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -76.68 -37.77 55.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.744 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -57.9 -50.64 72.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 18' ' ' ARG . 1.3 ttpt -60.78 -33.36 72.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -81.98 -13.06 57.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.419 1.074 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' GLN . 16.1 mtm -91.68 9.54 31.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -141.64 -99.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.548 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 69.97 -59.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.918 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -46.32 -26.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.662 ' CD2' HG21 ' A' ' 21' ' ' THR . 1.7 m-85 -48.03 125.56 9.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.39 1.056 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -39.93 -40.67 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 64.3 m-85 -131.31 66.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 4.4 ttp180 -51.39 -54.81 22.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -56.03 -58.23 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.358 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -51.89 -38.98 58.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.662 HG21 ' CD2' ' A' ' 15' ' ' TYR . 98.9 m -68.7 -59.15 3.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.434 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.834 ' O ' HG22 ' A' ' 26' ' ' VAL . 25.3 t -53.9 -41.62 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 35.1 ttp180 -65.81 -32.5 74.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -43.25 31.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.505 HG23 HD21 ' A' ' 55' ' ' LEU . 7.2 m -64.55 -48.81 73.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.834 HG22 ' O ' ' A' ' 22' ' ' VAL . 36.0 m -62.87 -37.52 79.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 10.3 m-20 -55.41 -45.41 76.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.2 t -58.14 -66.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.537 HD11 ' OE2' ' A' ' 5' ' ' GLU . 25.2 pt -55.17 -26.21 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.5 m -75.27 -20.06 59.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -93.64 -48.06 6.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -96.74 -57.09 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' CA ' ' O ' ' A' ' 29' ' ' ILE . 2.0 ttpt 78.84 20.41 0.78 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -110.07 -23.54 11.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.222 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.562 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 2.9 mm? -75.96 179.83 5.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.94 119.49 2.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HB2' HD22 ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.11 122.42 7.14 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.501 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -124.88 164.15 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.225 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.846 HD13 ' H ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -112.73 155.25 24.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.846 ' H ' HD13 ' A' ' 39' ' ' LEU . 2.9 p30 -148.48 145.08 27.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -121.86 119.08 30.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -133.62 150.97 51.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.3 m -89.37 147.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 48.0 m-85 -150.34 -63.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -52.4 95.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 45.03 27.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 89.75 52.06 2.72 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -125.34 121.19 33.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.9 p -39.08 153.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' TYR . 1.1 ttm180 -147.91 139.05 23.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.13 105.05 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.62 133.37 47.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.679 ' HA ' HD22 ' A' ' 39' ' ' LEU . 2.1 ppp? -91.52 174.9 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 6.8 p-10 -168.48 160.02 10.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD21 HG23 ' A' ' 25' ' ' THR . 4.3 mt -114.17 153.45 29.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 t -164.46 141.73 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 172.78 -165.61 38.04 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -126.41 105.96 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.562 ' CG2' ' CD2' ' A' ' 35' ' ' LEU . 38.7 pt -88.35 149.38 44.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.93 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 111.058 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 61' ' ' VAL . 2.2 t -105.31 106.51 56.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.605 1.191 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.09 36.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -120.49 18.25 12.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.15 . . . . 0.0 111.056 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER 84.09 2.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.237 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -156.36 -45.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -125.46 141.56 51.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.233 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.0 m -110.51 103.39 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.49 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.8 m-85 -86.96 -165.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -132.98 118.24 18.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.336 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -110.15 136.04 20.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 18.5 Cg_endo -75.0 150.66 38.5 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.546 1.814 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.8 mm -138.48 152.87 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 90' ' ' LYS . 22.5 t -163.11 109.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.8 pt? -132.52 165.63 23.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.48 ' CD1' ' CG2' ' A' ' 86' ' ' ILE . 48.7 m95 -98.76 154.6 17.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.563 HD22 ' SD ' ' A' ' 53' ' ' MET . 1.9 tp -125.85 110.24 13.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.486 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 8.4 mt -55.99 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -143.36 31.07 1.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.8 m -129.1 -83.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.661 ' CD2' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 60.51 150.24 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 111.059 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.661 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 153.96 99.45 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.073 -2.47 . . . . 0.0 110.971 -0.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER 166.73 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 127' ' ' LEU . 2.4 t-20 64.72 133.66 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 112.83 3.65 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.812 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.694 ' O ' HD13 ' A' ' 86' ' ' ILE . 18.1 Cg_endo -75.04 50.88 2.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.694 HD13 ' O ' ' A' ' 85' ' ' PRO . 17.0 mm -144.96 107.11 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -129.18 128.03 42.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 108.271 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.664 ' CE2' ' CG2' ' A' ' 86' ' ' ILE . 30.4 m-85 -137.69 169.46 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.968 HG12 ' O ' ' A' ' 107' ' ' GLY . 8.0 p -117.03 167.09 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 71' ' ' PRO . 12.8 mmtm -126.58 72.11 73.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.877 ' HD3' HG13 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.01 161.69 38.31 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.451 1.764 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.8 p -103.85 -173.48 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -83.08 -37.86 23.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -6.87 54.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.3 mtt -80.82 -173.95 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.8 m -153.0 104.8 2.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.758 HD11 ' HA2' ' A' ' 107' ' ' GLY . 1.3 tt -70.09 140.07 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.452 ' O ' ' CG ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -120.42 97.02 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 79.2 p -60.01 150.43 29.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.384 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 101' ' ' LYS . . . 92.96 169.04 39.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.55 1.156 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 5.8 mtpp 75.84 -49.46 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 0.808 . . . . 0.0 109.242 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.474 ' ND1' HG23 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -172.8 34.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.604 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -155.35 162.97 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.7 OUTLIER -120.44 -67.24 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 171.19 38.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.24 16.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.968 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 63.74 16.81 59.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.48 147.64 25.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.604 HD13 ' SD ' ' A' ' 131' ' ' MET . 5.6 mt -82.72 139.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.75 -153.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.415 ' HB2' ' NE2' ' A' ' 102' ' ' HIS . 4.5 mm? 65.99 163.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 113' ' ' TYR . 18.0 Cg_endo -75.09 4.99 4.29 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.786 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.46 ' C ' ' O ' ' A' ' 112' ' ' PRO . 1.9 t80 -32.19 -47.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.437 HD23 ' SG ' ' A' ' 87' ' ' CYS . 0.9 OUTLIER -74.86 -50.05 18.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 115' ' ' HIS . 15.9 t60 -93.11 47.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.62 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 112' ' ' PRO . 1.3 tt0 -124.08 -71.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 119' ' ' HIS . 3.8 t90 -65.55 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 108.02 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 38.5 47.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 1.01 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -55.99 -44.58 99.76 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.545 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 1.01 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.0 -51.54 0.16 OUTLIER 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.019 0.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 27.8 tp60 63.38 -64.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.0 OUTLIER -52.61 164.76 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -134.35 171.56 14.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -42.88 -57.83 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.35 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 mp -47.19 -61.16 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.212 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.1 -40.2 65.89 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 83' ' ' ASN . 9.2 tt -57.13 -48.47 78.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.4 mm -59.39 -34.97 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -60.71 -46.92 88.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.37 -41.32 89.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.604 ' SD ' HD13 ' A' ' 109' ' ' ILE . 9.3 tpp -65.46 -36.91 85.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.502 ' CG1' HD12 ' A' ' 59' ' ' ILE . 4.8 mt -60.66 -35.24 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 23.8 t -78.15 -38.11 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.66 -31.92 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 140' ' ' PRO . 2.1 m-30 -111.16 32.87 4.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -130.84 -47.93 0.13 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -54.78 37.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -109.21 157.72 36.38 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.21 3.74 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.433 1.754 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 135' ' ' PHE . 18.5 Cg_endo -74.9 -28.46 9.34 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.435 1.755 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' A' ' 97' ' ' ILE . 13.8 p -170.19 61.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 32.8 p90 -59.08 129.64 43.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 5.2 t -97.26 177.96 5.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.449 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -62.53 152.31 81.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.962 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.4 pt-20 -52.66 148.66 12.52 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.491 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.97 -85.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.723 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.37 -55.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.72 149.23 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 211' ' ' PRO . 18.5 Cg_endo -74.91 137.97 22.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 167.38 27.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.0 OUTLIER -85.03 152.56 23.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.7 pt-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -101.24 7.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.367 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -50.76 -58.94 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.31 -46.22 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -49.18 68.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' MET . 3.0 tt0 -61.22 -25.07 66.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -67.61 -48.28 67.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HG3' HG21 ' A' ' 22' ' ' VAL . 5.3 ttmt -69.63 -32.66 71.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -12.76 55.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.747 ' CG ' HD23 ' A' ' 39' ' ' LEU . 8.9 ttm -78.7 -12.27 60.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -123.08 -84.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.576 1.173 . . . . 0.0 109.279 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.56 29.6 11.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -143.75 -47.38 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.547 ' HD2' HG21 ' A' ' 21' ' ' THR . 5.4 m-30 -46.75 135.72 8.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.0 OUTLIER -44.26 -57.09 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -94.69 63.9 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -55.88 -29.15 59.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -84.33 -56.93 3.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 1.8 tp -55.47 -30.61 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.547 HG21 ' HD2' ' A' ' 15' ' ' TYR . 42.2 m -69.84 -56.49 6.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.962 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.5 t -61.27 -42.46 93.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.66 -20.01 64.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.677 ' HB3' HD22 ' A' ' 124' ' ' LEU . 7.8 mt-10 -76.64 -33.69 58.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.299 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.5 m -83.41 -47.54 11.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.962 HG13 ' O ' ' A' ' 22' ' ' VAL . 11.6 m -47.24 -53.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.676 ' OD1' HD21 ' A' ' 125' ' ' LEU . 4.3 p30 -61.58 -44.71 96.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.399 1.062 . . . . 0.0 109.213 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.646 HG13 ' CE2' ' A' ' 32' ' ' TYR . 1.8 t -57.56 -65.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.511 ' N ' HG12 ' A' ' 28' ' ' VAL . 13.5 pt -55.49 -29.01 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.395 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -70.41 -23.36 62.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD23 ' CE1' ' A' ' 32' ' ' TYR . 2.3 tp -88.34 -49.74 6.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.746 ' CZ ' HG21 ' A' ' 128' ' ' ILE . 3.9 m-85 -87.3 -61.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ILE . 5.2 ttpm? 81.73 4.44 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.29 -24.01 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.61 98.76 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 119.52 76.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.506 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -74.98 119.62 5.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -119.78 160.48 20.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.846 HD13 ' N ' ' A' ' 40' ' ' ASP . 2.9 tm? -114.23 143.79 44.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.846 ' N ' HD13 ' A' ' 39' ' ' LEU . 1.5 p30 -132.15 144.09 50.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.2 t -130.08 131.54 45.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.2 t80 -148.16 142.12 25.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.657 HG12 ' N ' ' A' ' 49' ' ' SER . 19.8 m -77.34 144.75 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.192 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 39.3 m-85 -146.97 -62.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 47' ' ' GLY . 34.0 m-20 -58.05 98.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 47.06 25.93 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 86.6 55.51 2.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' SER . 8.6 t -126.35 113.68 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.657 ' N ' HG12 ' A' ' 43' ' ' VAL . 39.3 m -37.54 144.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.05 137.26 42.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.23 119.59 23.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.48 124.66 15.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.552 ' HA ' HD22 ' A' ' 39' ' ' LEU . 17.6 ptm -96.16 138.59 33.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -129.27 171.77 12.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 37' ' ' PRO . 3.8 mt -128.96 146.39 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.7 t -162.36 131.59 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.45 -173.02 44.24 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.412 HG22 ' HB3' ' B' ' 207' ' ' PRO . 7.6 p -106.33 108.3 19.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.395 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.489 HG22 HG22 ' A' ' 70' ' ' ILE . 0.5 OUTLIER -88.61 145.82 36.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.357 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.05 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.65 111.17 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo -74.98 134.09 17.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.559 1.82 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -128.49 -171.02 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.94 49.03 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -172.7 -38.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 178.78 -175.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 0.793 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 6.5 m -103.57 109.26 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.581 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.7 m-85 -86.66 -167.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.3 OUTLIER -131.18 116.92 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.489 HG22 HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -112.33 138.89 22.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.849 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.1 Cg_endo -75.06 150.13 37.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 56' ' ' THR . 10.5 mm -138.17 150.98 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.245 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 88' ' ' PHE . 25.8 t -155.39 113.12 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 108.301 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 55' ' ' LEU . 2.5 pt? -141.42 160.92 39.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -106.47 144.21 33.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 124' ' ' LEU . 4.7 tp -116.2 116.97 28.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 80' ' ' TYR . 2.4 mp -82.93 -176.44 6.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.483 ' HA ' ' CD2' ' A' ' 15' ' ' TYR . 3.2 m-20 -71.56 -62.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.229 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.475 HG21 ' HB3' ' A' ' 16' ' ' LYS . 2.3 t -177.4 36.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 7.3 p90 -149.13 149.09 28.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 82' ' ' TYR . 18.1 Cg_endo -75.09 -54.18 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.087 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.926 0.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 18.4 p90 -117.86 -32.79 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.438 ' CB ' ' CD ' ' A' ' 84' ' ' PRO . 1.2 m-20 -166.42 174.69 2.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.568 ' HG3' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -75.0 112.87 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 86' ' ' ILE . 18.5 Cg_endo -74.96 -66.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 85' ' ' PRO . 6.4 mt -31.95 108.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.409 ' HB2' HD12 ' A' ' 109' ' ' ILE . 6.9 p -141.0 134.88 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 108.26 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.537 ' CE2' ' SG ' ' A' ' 73' ' ' CYS . 16.7 p90 -172.66 175.14 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 71' ' ' PRO . 2.2 p -126.24 148.49 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.424 1.078 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 86.43 18.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.49 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -75.03 157.98 42.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.4 p -74.93 176.43 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.349 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.81 -34.07 39.84 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -10.55 59.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 2.5 mtt -81.72 -169.8 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 97' ' ' ILE . 2.4 m -119.23 -144.29 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.408 ' H ' HG22 ' A' ' 96' ' ' THR . 0.2 OUTLIER 174.17 130.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 122.41 41.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.369 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 104' ' ' ASP . 41.7 p -96.56 138.74 33.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.68 -144.13 6.99 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.99 50.36 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.412 0.713 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.418 ' HD2' HD13 ' A' ' 111' ' ' LEU . 5.2 m170 -161.88 -50.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.555 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 104' ' ' ASP . 3.8 t -118.94 167.27 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.589 ' O ' HG22 ' A' ' 99' ' ' THR . 1.9 t70 -104.79 -55.55 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.419 1.075 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 171.35 -34.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -92.72 -0.77 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 100.68 -5.51 56.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -68.98 129.45 39.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.656 HD11 ' SD ' ' A' ' 131' ' ' MET . 88.5 mt -68.59 132.94 32.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -145.85 101.72 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.756 HD21 ' HB2' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -177.34 173.21 0.73 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.305 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 83.17 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.756 ' HB2' HD21 ' A' ' 111' ' ' LEU . 16.0 t80 -126.67 -42.61 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 115' ' ' HIS . 0.3 OUTLIER -75.61 -42.88 50.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.415 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 41.4 t60 -96.68 39.04 1.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.594 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.97 -75.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.443 ' O ' ' C ' ' A' ' 118' ' ' LYS . 54.4 t-105 -63.21 -79.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.558 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.6 tttp 37.22 43.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.973 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -53.38 -45.61 98.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.602 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.973 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.0 -49.73 0.22 Allowed 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.954 -0.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.445 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 30.4 tp60 63.55 -64.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 120' ' ' PRO . 16.1 t -39.87 139.56 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.023 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.29 177.87 6.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -44.9 -55.72 5.2 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.676 HD21 ' OD1' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -46.84 -61.68 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.8 88.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 4.4 tt -41.44 -61.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.746 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 3.0 mp -66.89 -35.13 73.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -56.21 -44.65 79.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 134' ' ' VAL . 37.3 t -67.24 -39.57 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.656 ' SD ' HD11 ' A' ' 109' ' ' ILE . 16.8 tpp -68.75 -41.16 79.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 111.053 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.468 HD12 HG22 ' A' ' 128' ' ' ILE . 29.3 mt -61.4 -31.72 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.1 t -79.82 -50.55 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 130' ' ' VAL . 78.6 t -56.6 -50.96 71.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.446 ' CE1' ' SD ' ' A' ' 131' ' ' MET . 8.1 m-85 -87.94 22.22 2.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -118.12 -39.41 0.75 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -64.89 -65.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -103.07 164.3 15.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.401 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.4 Cg_endo -74.85 -26.93 10.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 141' ' ' VAL . 14.0 p -171.66 63.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.53 ' O ' ' CD1' ' A' ' 142' ' ' PHE . 23.8 p90 -61.9 132.35 52.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.81 169.58 11.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -93.59 127.5 45.84 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.418 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -52.49 151.26 7.86 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.1 Cg_endo -75.04 -81.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.578 1.83 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.713 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 73.88 -55.92 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.445 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.35 149.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.581 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.95 135.41 19.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.797 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.95 171.58 18.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -90.5 162.01 15.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.244 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.78 -20.7 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -84.01 -13.41 53.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.02 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 3.1 tm-20 -38.48 -32.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 4' ' ' SER . 9.0 t -62.17 -59.22 5.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.65 -26.66 68.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.086 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.66 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -54.33 -61.32 2.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -24.16 4.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.7 -29.23 30.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -76.84 -16.26 59.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -110.17 -95.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.523 ' H ' HG23 ' A' ' 12' ' ' VAL . 57.4 p 56.75 16.83 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -33.78 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.858 ' CD2' HG21 ' A' ' 21' ' ' THR . 4.4 m-85 -50.16 129.0 20.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -34.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' THR . 17.7 m-85 -135.13 63.34 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 9.8 ttp-105 -48.34 -47.39 37.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -56.64 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -28.17 67.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.858 HG21 ' CD2' ' A' ' 15' ' ' TYR . 53.9 m -73.19 -59.14 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.74 ' O ' HG22 ' A' ' 26' ' ' VAL . 25.5 t -59.44 -34.47 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -66.32 -39.56 89.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -34.49 63.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.711 HG23 HD21 ' A' ' 55' ' ' LEU . 2.8 m -68.02 -52.83 31.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 22' ' ' VAL . 27.4 m -62.18 -39.05 82.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' HB3' HD21 ' A' ' 125' ' ' LEU . 7.0 m-20 -53.85 -42.23 68.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.8 t -60.96 -66.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.405 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 20.9 pt -55.21 -23.36 13.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -72.54 -27.17 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.592 HD23 ' CD1' ' A' ' 32' ' ' TYR . 1.3 tt -88.08 -48.15 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.592 ' CD1' HD23 ' A' ' 31' ' ' LEU . 26.6 m-85 -90.55 -64.27 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 85.46 15.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -109.67 -23.77 11.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.98 174.01 10.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -153.12 121.44 3.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.96 121.86 6.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.562 HG13 ' ND2' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -116.36 158.38 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.569 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -110.17 133.82 52.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.569 ' N ' HD13 ' A' ' 39' ' ' LEU . 42.4 p30 -134.75 153.93 51.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -135.9 134.31 38.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.188 . . . . 0.0 109.945 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.5 t80 -147.71 151.19 35.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.411 1.069 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 m -79.58 140.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 29.8 m-85 -144.15 -66.64 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.432 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -49.7 96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' PHE . 8.6 t70 42.9 28.2 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 109.239 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 87.7 63.56 1.4 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -138.75 117.81 12.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 0.741 . . . . 0.0 109.946 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 p -39.99 142.63 0.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.407 1.067 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.76 135.71 26.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.82 110.89 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.638 HD22 ' HE3' ' A' ' 75' ' ' TRP . 0.7 OUTLIER -123.33 160.18 27.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.55 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.6 ttp -114.73 157.09 23.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.562 ' ND2' HG13 ' A' ' 38' ' ' VAL . 4.7 p-10 -153.15 166.77 31.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.711 HD21 HG23 ' A' ' 25' ' ' THR . 4.7 mt -126.72 154.49 44.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 t -166.09 147.82 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.26 -169.13 39.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.589 1.181 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.625 HG21 ' O ' ' B' ' 205' ' ' PRO . 1.3 p -112.9 115.51 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 110.46 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.692 HG21 HG12 ' A' ' 132' ' ' ILE . 13.6 mt -86.7 133.97 38.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.01 102.99 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.483 1.781 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 67' ' ' THR . 2.2 t -91.91 113.95 60.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 161.39 38.6 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.456 1.766 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 66' ' ' ASN . 0.4 OUTLIER -139.48 -146.73 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.88 53.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . 115.95 26.49 3.26 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' TYR . 1.4 m120 -162.81 170.69 17.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 65.8 m -151.45 101.13 2.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 3.5 m-85 -84.03 -170.89 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.18 120.92 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.437 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -108.18 151.55 41.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.762 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.03 148.1 34.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.575 1.829 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.643 HG13 HD12 ' A' ' 59' ' ' ILE . 18.9 mm -145.72 140.68 21.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.243 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.593 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 4.2 t -156.78 118.31 3.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -144.49 138.73 27.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.638 ' HE3' HD22 ' A' ' 52' ' ' LEU . 21.6 m95 -79.87 178.82 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 108.025 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.454 ' O ' HD21 ' A' ' 52' ' ' LEU . 6.2 tp -141.74 129.8 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.381 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.727 HD23 ' HB3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -101.0 -175.88 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -105.03 -44.62 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t -176.73 57.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.637 ' CD1' ' HA ' ' A' ' 81' ' ' PRO . 76.2 t80 -177.6 142.17 0.47 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.637 ' HA ' ' CD1' ' A' ' 80' ' ' TYR . 18.1 Cg_endo -74.98 -47.16 0.32 Allowed 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.028 -2.489 . . . . 0.0 110.961 0.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 118' ' ' LYS . 6.6 t80 -110.16 -34.37 6.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.515 ' CB ' ' HD3' ' A' ' 84' ' ' PRO . 0.1 OUTLIER 165.17 -53.61 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 83' ' ' ASN . 18.1 Cg_endo -75.07 111.27 3.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.727 ' HB3' HD23 ' A' ' 77' ' ' LEU . 18.0 Cg_endo -75.04 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.962 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 73.2 mt -127.86 146.43 33.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 74.0 m -136.39 138.36 41.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.276 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 3.2 p90 -173.84 161.71 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 71' ' ' PRO . 14.8 p -103.02 149.98 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 1.5 mmtp -118.97 79.5 17.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.612 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.4 Cg_endo -74.98 156.92 43.11 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.441 1.758 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 44.0 p -73.73 -161.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.7 -29.82 12.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.45 -15.44 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.453 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.5 mtt -62.57 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.1 m -156.39 103.92 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.7 tt -81.54 155.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -131.19 111.48 11.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.178 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.826 HG22 ' O ' ' A' ' 104' ' ' ASP . 34.3 p -65.47 139.38 58.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.31 -154.68 10.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 0.7 OUTLIER -89.7 47.4 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 0.787 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.634 ' HD2' HD11 ' A' ' 111' ' ' LEU . 19.9 m170 -160.76 -48.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 0.0 109.639 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.2 t -116.67 145.89 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.826 ' O ' HG22 ' A' ' 99' ' ' THR . 0.3 OUTLIER -86.38 -55.46 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 163.42 -34.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -88.58 -1.57 58.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.467 ' CA ' HG12 ' A' ' 89' ' ' VAL . . . 101.6 -21.65 41.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.32 116.78 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.1 mt -57.56 130.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -102.08 54.95 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 1.167 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.634 HD11 ' HD2' ' A' ' 102' ' ' HIS . 16.0 mt -131.47 160.43 67.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 114' ' ' LEU . 18.4 Cg_endo -74.99 -54.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.459 1.768 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.454 ' OH ' HG12 ' A' ' 130' ' ' VAL . 0.8 OUTLIER 59.71 -77.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 114' ' ' LEU . 5.1 tt -54.05 -44.04 70.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.82 33.73 2.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -130.58 -67.28 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.252 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.0 t-105 -75.42 -81.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.572 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 0.2 OUTLIER 46.14 42.77 10.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.232 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.974 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -54.16 -45.99 98.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.974 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.96 -46.85 0.34 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.029 -0.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 1.0 OUTLIER 58.1 -72.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -43.49 147.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -133.03 178.25 7.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.65 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.1 OUTLIER -40.18 -49.63 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 27' ' ' ASN . 9.9 mp -61.62 -55.46 30.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -52.63 -41.47 57.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 84' ' ' PRO . 7.7 tt -49.03 -57.13 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.3 mp -63.2 -33.31 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.83 -43.9 91.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.315 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.454 HG12 ' OH ' ' A' ' 113' ' ' TYR . 6.5 t -59.94 -44.13 93.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 22.4 ttm -63.96 -36.15 83.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.692 HG12 HG21 ' A' ' 59' ' ' ILE . 36.9 mt -66.37 -26.88 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 t -79.17 -31.82 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.55 -40.03 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 3.7 m-30 -95.09 21.88 7.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -115.28 -29.69 2.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.48 -65.8 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 0.73 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.95 163.32 19.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.25 3.75 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.45 ' HB3' ' CG ' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.99 -28.22 9.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.612 HG21 ' HB3' ' A' ' 91' ' ' PRO . 14.7 p -171.95 60.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 41.0 p90 -58.8 132.93 55.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 2.4 t -97.72 175.89 6.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.439 ' N ' ' OG ' ' A' ' 143' ' ' SER . 35.5 ptt85 -88.13 156.99 51.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 110.966 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.625 ' O ' HG21 ' A' ' 58' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -47.12 149.01 1.8 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.453 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.4 Cg_endo -75.0 -83.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.718 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.82 -57.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.88 151.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.528 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 138.88 23.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.524 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.05 178.97 6.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.1 OUTLIER -123.23 154.53 38.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' B' ' 212' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p -97.22 -7.45 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.473 ' HB3' HD12 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -67.39 -11.24 57.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.969 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -35.14 -36.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.341 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.4 OUTLIER -62.36 -60.5 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -23.02 62.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 4' ' ' SER . 0.1 OUTLIER -61.87 -34.39 75.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.593 ' HG3' HG21 ' A' ' 22' ' ' VAL . 6.8 tmtt? -68.31 -30.5 69.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -85.79 -11.98 52.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.504 ' SD ' ' CB ' ' A' ' 39' ' ' LEU . 2.8 mtm -78.49 -10.45 59.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.532 HG12 ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -111.85 -93.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.6 28.29 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.32 22.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.532 ' CE1' HG12 ' A' ' 12' ' ' VAL . 3.1 m-85 -107.1 148.23 29.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.577 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -51.71 -24.53 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 0.0 109.368 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 13.6 m-85 -151.46 69.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 111.062 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.0 ttp-105 -59.68 -43.65 93.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 110.23 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.67 -55.34 36.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.02 -32.3 70.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -71.62 -52.36 18.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.669 ' O ' HG13 ' A' ' 26' ' ' VAL . 54.7 t -56.02 -41.68 69.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -33.95 72.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.015 ' O ' HG23 ' A' ' 28' ' ' VAL . 13.1 mt-10 -73.96 -43.15 59.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.7 m -62.19 -48.99 77.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 22' ' ' VAL . 23.0 m -63.08 -41.21 91.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.219 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' HB3' HD21 ' A' ' 125' ' ' LEU . 88.4 m-20 -62.49 -38.24 89.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.015 HG23 ' O ' ' A' ' 24' ' ' GLU . 79.2 t -61.03 -61.4 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.767 HG22 ' O ' ' A' ' 35' ' ' LEU . 47.7 pt -59.97 -32.12 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.193 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 19.0 m -71.95 -23.34 61.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.376 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 32' ' ' TYR . 4.0 tp -85.82 -49.25 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.674 ' CZ ' HD23 ' A' ' 31' ' ' LEU . 31.5 m-85 -104.79 -58.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER 86.74 1.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.601 1.188 . . . . 0.0 109.352 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -96.47 -24.15 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.767 ' O ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -87.85 96.74 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -82.25 121.18 78.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' HD3' HG21 ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.06 138.55 23.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.734 HG13 ' OD1' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -138.28 159.77 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.646 HD13 ' N ' ' A' ' 40' ' ' ASP . 1.8 tm? -113.76 135.74 53.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.646 ' N ' HD13 ' A' ' 39' ' ' LEU . 8.4 p-10 -138.93 136.28 35.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 30.5 t -129.76 133.97 47.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 4.0 t80 -164.62 169.12 17.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.0 m -82.5 139.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.8 m-85 -141.79 -62.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.3 m120 -52.13 92.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 25.3 t70 43.09 28.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 93.64 61.27 1.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.68 115.59 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 t -42.21 141.07 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -142.4 140.48 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -110.21 112.02 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.81 HD11 ' CE3' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -149.02 145.23 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.636 ' N ' HD22 ' A' ' 52' ' ' LEU . 27.9 ptm -91.0 149.24 21.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.069 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.734 ' OD1' HG13 ' A' ' 38' ' ' VAL . 6.1 p30 -125.67 165.54 18.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 54' ' ' ASN . 3.8 mm? -118.61 141.56 48.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 t -149.8 144.41 25.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 155.01 -170.5 33.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.8 p -122.87 110.99 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.338 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.1 pt -80.5 146.07 60.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.76 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.614 ' C ' HG23 ' A' ' 67' ' ' THR . 2.5 t -99.61 114.62 65.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.581 ' N ' HG23 ' A' ' 67' ' ' THR . 18.3 Cg_endo -75.01 155.57 42.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.414 1.744 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.458 ' CB ' ' OD1' ' A' ' 66' ' ' ASN . 1.3 t80 -124.69 -147.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -94.59 5.85 50.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 172.61 41.65 0.04 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.458 ' OD1' ' CB ' ' A' ' 63' ' ' TYR . 3.6 p30 168.43 -176.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.614 HG23 ' C ' ' A' ' 61' ' ' VAL . 88.9 m -153.52 113.74 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 0.8 OUTLIER -88.09 -165.28 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.7 OUTLIER -124.83 112.61 16.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -108.29 133.34 20.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.03 164.0 34.17 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.539 HD11 ' SD ' ' A' ' 131' ' ' MET . 0.0 OUTLIER -165.91 167.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 7.6 t -167.99 143.0 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.553 1.158 . . . . 0.0 108.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -150.84 157.71 43.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.81 ' CE3' HD11 ' A' ' 52' ' ' LEU . 16.1 m95 -107.14 100.03 9.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.023 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 124' ' ' LEU . 1.1 tp -68.82 79.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.43 178.08 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.552 ' C ' HG22 ' A' ' 79' ' ' THR . 20.8 p-10 -70.27 -33.66 71.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.552 HG22 ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 166.05 66.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.436 1.085 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.539 ' CD2' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.03 154.89 51.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.539 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -75.03 -37.46 2.21 Favored 'Cis proline' 0 C--N 1.361 1.225 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.006 -0.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.556 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 48.9 m-85 -124.96 -1.23 7.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.627 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER 151.57 -45.33 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.01 115.85 4.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.446 ' HD2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.96 179.8 5.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.418 1.746 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 74' ' ' LEU . 7.0 mt -67.39 121.92 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.405 ' HB3' ' HE1' ' A' ' 131' ' ' MET . 93.6 m -113.49 113.33 24.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 6.1 p90 -144.35 135.39 25.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.817 HG12 ' O ' ' A' ' 107' ' ' GLY . 4.4 p -80.62 148.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -122.78 89.66 50.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.379 1.049 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.536 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.4 Cg_endo -74.94 159.76 41.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.409 ' CG2' ' HG2' ' B' ' 207' ' ' PRO . 59.2 p -80.51 -135.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -44.63 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.6 t -74.1 -9.72 58.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 1.9 mtm -81.19 179.19 7.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.755 ' C ' HG23 ' A' ' 141' ' ' VAL . 1.3 t -154.61 126.67 7.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 105' ' ' ALA . 2.0 mt -66.8 150.66 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.44 81.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 104' ' ' ASP . 39.8 p -61.96 138.69 58.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.83 -137.98 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 4.4 mttt -93.5 36.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 10.1 m170 -148.67 -55.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.1 t -111.3 152.02 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.586 ' O ' HG22 ' A' ' 99' ' ' THR . 1.1 t0 -91.71 -65.06 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 174.0 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -9.59 56.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.817 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 94.35 19.87 31.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.74 144.55 31.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.7 mt -63.34 141.4 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -94.49 -54.45 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.7 mt -42.63 119.37 2.43 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 53.37 3.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.527 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.2 p90 -65.22 -39.38 92.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.527 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 0.2 OUTLIER -56.6 -35.09 67.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.435 ' N ' ' HG ' ' A' ' 114' ' ' LEU . 4.3 t-160 -99.09 28.93 4.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -120.11 -73.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.444 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 43.6 t-105 -64.75 -80.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.049 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.557 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER 36.53 42.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.997 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -54.58 -45.28 99.52 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.55 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.997 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.99 -49.8 0.21 Allowed 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.955 -2.519 . . . . 0.0 111.005 0.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.447 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 29.1 tp60 63.33 -65.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 120' ' ' PRO . 5.5 t -44.61 161.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -127.15 173.54 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 76' ' ' LEU . 1.8 tp -50.56 -38.45 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 27' ' ' ASN . 10.1 mp -61.17 -56.55 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.42 -43.46 93.93 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.537 1.148 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.647 HD23 ' C ' ' A' ' 127' ' ' LEU . 3.9 tt -47.29 -64.51 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.55 HG22 ' CD1' ' A' ' 132' ' ' ILE . 4.7 mt -59.11 -30.8 44.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 132' ' ' ILE . 5.9 tt0 -58.71 -43.72 90.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.578 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.0 t -64.62 -42.3 94.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.539 ' SD ' HD11 ' A' ' 72' ' ' ILE . 17.1 ttm -66.81 -32.83 74.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.55 ' CD1' HG22 ' A' ' 128' ' ' ILE . 24.6 mt -64.16 -36.86 78.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 19.9 t -77.47 -33.96 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 130' ' ' VAL . 60.9 t -71.53 -50.61 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.6 m-85 -90.59 19.38 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.419 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -114.33 -13.44 9.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.77 -60.95 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.79 159.68 28.7 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.405 1.739 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.52 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.1 Cg_endo -75.1 -28.71 8.78 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.755 HG23 ' C ' ' A' ' 96' ' ' THR . 8.1 p -170.11 61.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.415 ' O ' HG22 ' A' ' 96' ' ' THR . 19.0 p90 -57.51 140.78 49.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.4 t -103.13 174.25 5.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.428 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.1 OUTLIER -63.23 148.82 92.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.223 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -54.75 150.02 20.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.98 -87.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.72 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.5 OUTLIER 77.64 -53.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.367 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.64 150.53 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.414 ' CD ' HD12 ' A' ' 70' ' ' ILE . 18.1 Cg_endo -75.09 144.7 30.25 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.02 -168.55 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -118.43 162.58 18.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.83 -39.12 38.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -61.83 -47.94 82.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 110.034 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.73 -46.0 10.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.74 -37.88 88.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.04 -19.46 51.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.632 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -68.48 -40.89 80.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HG2' ' NH1' ' A' ' 18' ' ' ARG . 18.3 tttt -67.27 -41.48 85.46 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -79.53 -12.17 59.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.745 ' CG ' HD23 ' A' ' 39' ' ' LEU . 9.0 ttm -78.41 -15.42 58.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -125.15 -96.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.571 ' H ' HG23 ' A' ' 12' ' ' VAL . 12.8 t 55.76 20.13 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.966 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 15' ' ' TYR . 9.1 ttpt -141.66 -45.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' C ' ' O ' ' A' ' 14' ' ' LYS . 2.5 m-30 -34.05 150.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -50.72 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -133.1 58.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' NH1' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -44.21 -28.7 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.36 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -69.5 -55.88 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.5 -40.69 83.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.644 HG23 HD21 ' A' ' 76' ' ' LEU . 53.5 m -62.46 -49.94 73.41 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.891 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.4 t -59.66 -46.77 92.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HA ' ' CG2' ' A' ' 26' ' ' VAL . 30.3 ttp180 -67.39 -30.29 70.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.17 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.4 mm-40 -76.05 -41.83 49.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.625 HG23 HD11 ' A' ' 55' ' ' LEU . 18.7 m -68.47 -55.89 10.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.133 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.891 HG22 ' O ' ' A' ' 22' ' ' VAL . 30.5 m -52.37 -40.11 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.702 ' HB3' HD11 ' A' ' 125' ' ' LEU . 5.3 m-20 -55.53 -47.36 76.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.23 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.587 ' CG2' HD23 ' A' ' 124' ' ' LEU . 67.9 t -56.85 -68.66 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' LYS . 19.3 pt -52.14 -28.65 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -69.2 -23.12 63.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -46.48 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 74.5 m-85 -92.65 -63.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER 88.04 11.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.91 -20.63 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -80.59 166.33 21.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -154.97 122.18 2.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.256 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 128.71 11.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -125.82 161.87 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.745 HD23 ' CG ' ' A' ' 11' ' ' MET . 1.3 tm? -119.82 119.37 33.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.564 ' OD2' ' CH2' ' A' ' 75' ' ' TRP . 42.0 p30 -131.22 160.18 35.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 40.3 t -143.31 127.25 17.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 6.8 t80 -152.21 162.95 40.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 49' ' ' SER . 10.4 m -78.35 139.52 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 24.1 m-85 -143.72 -67.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -51.38 98.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.0 t0 50.35 27.31 2.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.1 49.36 5.61 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.1 t -121.29 121.75 38.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 0.735 . . . . 0.0 109.971 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.572 ' N ' HG12 ' A' ' 43' ' ' VAL . 15.7 m -38.21 142.7 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.409 1.068 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 41' ' ' SER . 5.8 ttm180 -149.52 141.21 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -114.65 136.85 52.59 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -172.81 152.39 2.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.567 ' HA ' HD22 ' A' ' 39' ' ' LEU . 3.1 ppp? -86.5 139.48 30.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' C ' HD22 ' A' ' 55' ' ' LEU . 7.0 p-10 -125.23 164.28 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 25' ' ' THR . 3.1 mm? -105.04 148.99 26.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' LYS . 3.8 t -153.87 139.66 18.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.43 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 156.77 170.21 21.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.598 HG22 ' HB3' ' B' ' 207' ' ' PRO . 10.8 p -103.45 103.41 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.939 HD13 HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -70.06 138.27 87.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 92.83 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 67' ' ' THR . 2.4 t -77.38 114.09 37.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.357 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.11 43.1 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -130.36 -163.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -12.18 60.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.237 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 66' ' ' ASN . . . -178.43 34.91 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.442 1.088 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 3.2 m120 -164.39 -178.47 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 0.721 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 61' ' ' VAL . 38.2 m -156.27 107.84 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.585 ' CE2' ' HA ' ' B' ' 210' ' ' PRO . 2.5 m-85 -89.91 -170.74 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 206' ' ' GLU . 0.4 OUTLIER -127.7 110.76 12.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -109.17 128.72 24.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.606 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -74.97 157.8 42.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.747 HD11 ' SD ' ' A' ' 131' ' ' MET . 0.1 OUTLIER -147.21 167.83 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 88' ' ' PHE . 11.8 t -151.96 103.5 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HA ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -102.5 135.83 43.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.564 ' CH2' ' OD2' ' A' ' 40' ' ' ASP . 93.7 m95 -103.68 91.93 4.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.644 HD21 HG23 ' A' ' 21' ' ' THR . 7.5 tp -79.72 98.52 7.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.591 HD22 ' OD1' ' A' ' 78' ' ' ASP . 0.7 OUTLIER -68.62 -158.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.247 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.591 ' OD1' HD22 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -88.11 45.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 79' ' ' THR . 5.5 p 40.95 66.86 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.637 ' CD2' ' HA ' ' A' ' 81' ' ' PRO . 1.8 t80 -167.69 148.79 4.9 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.637 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -75.06 -21.35 15.47 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.979 0.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -148.32 -50.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.405 1.066 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.2 116.36 2.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.34 3.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.496 1.788 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.803 ' HB2' HD22 ' A' ' 114' ' ' LEU . 18.2 Cg_endo -75.04 55.56 4.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.445 1.761 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.48 HG22 ' CD1' ' A' ' 75' ' ' TRP . 19.7 mt -117.85 94.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 40.0 m -116.1 131.87 56.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 108.288 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.462 ' HE1' HG23 ' A' ' 86' ' ' ILE . 19.7 m-85 -137.28 173.19 11.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 107' ' ' GLY . 10.0 p -131.2 152.6 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -118.16 80.04 15.09 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -170.25 0.75 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.6 p -118.69 -139.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.369 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.21 -42.87 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.47 -8.14 57.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.536 ' HE3' ' HB2' ' B' ' 207' ' ' PRO . 3.5 mtt -65.74 -173.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.0 m -151.36 86.59 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.391 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.716 ' HA ' HG23 ' A' ' 141' ' ' VAL . 0.7 OUTLIER -58.39 134.23 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.379 1.049 . . . . 0.0 109.312 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 102.03 11.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 72.3 p -82.73 138.06 34.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.07 -136.96 4.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.125 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.9 47.76 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 0.738 . . . . 0.0 109.369 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.749 ' CD2' HD13 ' A' ' 111' ' ' LEU . 3.6 m80 -163.74 -56.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.656 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 104' ' ' ASP . 1.6 t -112.06 170.47 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.7 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -117.68 -58.23 2.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 163.07 -38.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.7 0.79 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.733 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 85.53 23.94 44.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.02 119.14 38.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.47 138.48 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -148.39 100.28 3.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.749 HD13 ' CD2' ' A' ' 102' ' ' HIS . 0.6 OUTLIER -177.26 177.42 0.45 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 115' ' ' HIS . 18.3 Cg_endo -74.99 74.71 3.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.541 ' HB2' HD21 ' A' ' 111' ' ' LEU . 3.4 t80 -117.64 -43.9 2.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.803 HD22 ' HB2' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -78.77 -41.8 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' A' ' 112' ' ' PRO . 2.0 p-80 -93.5 40.63 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.33 -71.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.46 ' CZ2' ' ND1' ' A' ' 119' ' ' HIS . 37.7 t-105 -75.0 -84.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 2.8 tttt 44.34 47.33 7.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.989 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -51.78 -46.04 91.9 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 109.603 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.989 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.04 -51.98 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 120.946 -2.522 . . . . 0.0 110.998 0.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.541 ' CD ' ' C ' ' A' ' 121' ' ' GLN . 0.0 OUTLIER 60.79 -69.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 120' ' ' PRO . 4.7 t -38.41 146.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.06 174.24 6.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.377 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.587 HD23 ' CG2' ' A' ' 28' ' ' VAL . 1.2 tp -47.05 -45.6 21.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 27' ' ' ASN . 9.6 mp -58.83 -45.98 88.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.25 -34.26 74.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.617 HD23 HG13 ' A' ' 128' ' ' ILE . 1.8 tt -50.87 -60.26 3.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.784 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.617 HG13 HD23 ' A' ' 127' ' ' LEU . 3.3 mt -61.79 -35.61 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -52.14 -44.9 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 134' ' ' VAL . 93.3 t -60.95 -38.35 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.747 ' SD ' HD11 ' A' ' 72' ' ' ILE . 2.2 ttm -64.89 -43.19 93.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.939 HD11 HD13 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -59.47 -30.17 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 t -77.72 -41.96 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.53 HG13 ' NE2' ' A' ' 102' ' ' HIS . 79.3 t -69.38 -50.38 52.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.614 ' CD2' ' CB ' ' A' ' 140' ' ' PRO . 4.2 m-85 -75.02 -6.77 51.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -92.41 -40.19 5.15 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -55.64 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.58 151.46 39.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.614 ' CB ' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -74.98 -27.84 9.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.716 HG23 ' HA ' ' A' ' 97' ' ' ILE . 13.0 p -173.9 56.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.459 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 16.5 p90 -55.89 128.02 33.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' B' ' 208' ' ' THR . 17.7 t -103.04 -177.49 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.937 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.435 ' N ' ' OG ' ' A' ' 143' ' ' SER . 0.2 OUTLIER -79.19 154.78 77.26 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.266 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 111.029 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 2.9 pt-20 -50.82 151.21 4.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.598 ' HB3' HG22 ' A' ' 58' ' ' THR . 18.2 Cg_endo -75.01 -81.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.494 1.786 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.722 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 75.44 -56.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.04 149.06 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.585 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.08 139.31 23.93 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.392 1.733 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.98 169.86 21.69 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.81 -151.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 p -101.0 6.91 9.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.3 OUTLIER -60.87 -15.31 29.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.037 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.83 ' OE1' HG13 ' A' ' 22' ' ' VAL . 4.6 tm-20 -39.08 -41.96 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -49.05 77.08 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -70.25 -25.44 63.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.422 1.076 . . . . 0.0 110.332 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.605 ' O ' HG22 ' A' ' 12' ' ' VAL . 1.3 tp -56.3 -60.08 4.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.2 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -51.85 -25.82 8.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -29.26 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -72.22 -19.8 61.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -107.41 -94.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.468 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 55.93 17.58 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -37.78 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.686 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.5 m-30 -48.2 144.7 3.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -44.0 -52.64 6.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.378 1.049 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 34.3 m-85 -127.2 68.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.35 -36.97 3.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -54.45 42.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.01 -35.51 71.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.686 HG21 ' CD2' ' A' ' 15' ' ' TYR . 48.0 m -69.39 -55.71 9.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.436 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.83 HG13 ' OE1' ' A' ' 5' ' ' GLU . 39.2 t -52.04 -43.42 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.223 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' HA ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -64.96 -30.0 70.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.41 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -42.94 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.3 m -66.52 -45.14 80.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 22' ' ' VAL . 26.5 m -63.75 -46.45 94.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.422 ' N ' HG23 ' A' ' 26' ' ' VAL . 8.9 m-20 -47.22 -46.06 23.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 31' ' ' LEU . 38.6 t -57.12 -69.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.5 pt -53.83 -20.62 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' VAL . 14.4 m -81.72 -19.25 41.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.364 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -98.29 -53.64 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.92 -51.63 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt 70.97 10.04 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.66 -21.15 13.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.628 HD13 HG22 ' A' ' 59' ' ' ILE . 1.1 mp -75.89 170.27 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.36 113.84 3.54 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HA ' HD13 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -75.02 120.1 5.92 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -113.81 159.64 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.23 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -116.42 129.5 56.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.556 ' N ' HD13 ' A' ' 39' ' ' LEU . 51.3 t0 -151.82 162.3 41.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.4 t -128.72 133.3 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 1.1 t80 -121.36 157.36 30.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.4 m -84.29 142.28 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 43.9 m-85 -145.72 -67.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -51.99 93.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.229 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' PHE . 36.2 t0 46.6 26.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 45' ' ' ASN . . . 92.09 51.55 2.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 t -121.51 120.66 35.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 p -45.46 146.09 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.051 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -147.21 136.85 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -75.53 124.92 28.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -150.09 171.43 16.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.6 ttm -116.64 158.4 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 5.3 p-10 -148.24 158.52 44.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD23 HD13 ' A' ' 76' ' ' LEU . 4.3 mm? -117.0 147.45 42.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 t -161.75 143.01 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.75 -169.51 41.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.374 1.046 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 2.1 p -118.34 99.46 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.628 HG22 HD13 ' A' ' 35' ' ' LEU . 7.4 pt -82.29 144.63 50.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.04 113.6 3.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.95 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 61' ' ' VAL . 1.6 t -100.43 108.98 55.61 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.461 ' CA ' HG23 ' A' ' 67' ' ' THR . 18.5 Cg_endo -74.96 149.22 36.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.822 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.511 ' CE1' ' HG2' ' B' ' 210' ' ' PRO . 0.6 OUTLIER -132.91 24.84 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 66.68 83.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.261 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.15 -22.49 10.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 0.0 111.057 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -148.02 170.12 18.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.461 HG23 ' CA ' ' A' ' 62' ' ' PRO . 6.8 m -152.18 107.8 3.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 2.0 m-85 -89.26 -167.52 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.3 OUTLIER -126.46 112.92 16.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.422 HD12 ' CD ' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -109.14 143.59 27.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.982 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.0 153.84 42.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.0 mm -142.24 147.03 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.499 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 1.7 t -153.18 130.72 11.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.7 pt? -163.84 156.23 17.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.4 ' CD1' HG21 ' A' ' 86' ' ' ILE . 62.6 m95 -94.81 169.83 9.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 107.975 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.83 HD11 HD21 ' A' ' 124' ' ' LEU . 1.3 tp -126.7 115.52 19.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.59 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -55.81 -169.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.535 ' OD2' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -145.14 24.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 79' ' ' THR . 2.2 m -140.81 16.88 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -44.64 154.96 0.4 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 18.4 Cg_endo -74.94 132.44 27.56 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.054 -2.477 . . . . 0.0 110.985 -0.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.449 ' N ' ' HA ' ' A' ' 80' ' ' TYR . 0.4 OUTLIER -148.33 -44.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.696 ' OD1' HD11 ' A' ' 114' ' ' LEU . 4.4 t-20 75.06 110.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.522 ' HB3' HD23 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.97 131.54 14.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -2.16 12.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.4 HG21 ' CD1' ' A' ' 75' ' ' TRP . 22.0 mm -86.02 89.55 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.417 ' HB2' HD12 ' A' ' 109' ' ' ILE . 38.7 m -129.42 105.15 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.27 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 73' ' ' CYS . 23.3 p90 -136.35 140.9 43.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.982 HG23 ' O ' ' A' ' 71' ' ' PRO . 6.1 p -86.96 147.9 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -116.8 83.82 14.81 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.98 0.47 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.431 1.753 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.0 p -109.47 -160.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.451 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.83 -29.78 12.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t -81.71 -6.48 59.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.1 mtt -82.49 -175.68 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.462 ' C ' HG23 ' A' ' 141' ' ' VAL . 51.3 m -146.15 99.3 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.463 ' N ' HG23 ' A' ' 141' ' ' VAL . 0.1 OUTLIER -67.2 135.04 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.52 129.7 54.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 104' ' ' ASP . 30.1 p -98.1 139.09 34.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.406 1.066 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.88 -133.33 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.878 ' O ' HD11 ' A' ' 111' ' ' LEU . 3.4 mmtt -96.81 43.71 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.797 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.835 ' CE1' HG11 ' A' ' 134' ' ' VAL . 8.8 m-70 -160.16 -61.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.061 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 99' ' ' THR . 97.6 t -103.54 137.06 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 99' ' ' THR . 0.8 OUTLIER -89.81 -67.85 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -178.54 54.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -167.44 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.457 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 123.5 -5.88 9.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.52 1.137 . . . . 0.0 111.044 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -76.7 136.0 39.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 0.751 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.417 HD12 ' HB2' ' A' ' 87' ' ' CYS . 17.8 mt -81.39 141.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -137.35 84.27 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.165 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.878 HD11 ' O ' ' A' ' 101' ' ' LYS . 17.3 mt -154.76 142.5 14.04 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.3 Cg_endo -75.07 52.1 2.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.559 1.821 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.676 ' CE1' HD12 ' A' ' 114' ' ' LEU . 9.7 p90 -88.56 -31.82 18.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.696 HD11 ' OD1' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -79.77 -28.32 40.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -96.93 31.49 2.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.586 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.23 -64.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.418 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 27.2 t-105 -62.92 -80.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.031 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.547 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 5.2 tttt 43.8 41.29 3.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.939 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -53.2 -46.31 97.88 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.562 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.939 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.02 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.956 0.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 6.4 tm0? 61.16 -67.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.598 ' N ' ' O ' ' A' ' 120' ' ' PRO . 1.4 t -48.02 152.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.22 176.78 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.83 HD21 HD11 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -48.33 -39.86 23.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.55 -52.48 65.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.58 -28.91 74.08 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.608 ' C ' HD13 ' A' ' 127' ' ' LEU . 2.8 tm? -62.87 -58.79 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.9 mt -59.57 -23.77 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.98 -43.12 72.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.18 -42.17 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.406 ' SD ' HD11 ' A' ' 109' ' ' ILE . 5.9 mtt -64.22 -37.13 86.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.2 mt -64.69 -28.5 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.59 -45.05 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.835 HG11 ' CE1' ' A' ' 102' ' ' HIS . 53.4 t -71.8 -50.84 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -70.5 -16.77 62.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.426 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -85.31 -31.89 21.26 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.62 -51.44 5.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 140' ' ' PRO . 1.0 OUTLIER -106.12 142.27 24.49 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.86 3.66 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.389 1.731 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 138' ' ' GLU . 18.1 Cg_endo -75.02 -29.24 8.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 97' ' ' ILE . 11.1 p -168.87 56.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 36.2 p90 -57.89 123.27 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 208' ' ' THR . 1.0 OUTLIER -81.13 171.08 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.42 125.28 29.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . 0.404 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 pt-20 -50.73 148.47 7.13 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' ASN . 18.4 Cg_endo -74.95 -86.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 78.42 -54.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 85.98 149.81 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.511 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.06 140.41 25.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.95 175.52 11.12 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.82 155.34 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 110.32 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.1 p -83.63 -0.71 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.5 OUTLIER -82.07 -15.52 53.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.99 -46.16 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -59.51 -42.66 92.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.96 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -77.03 -21.1 55.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.918 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -65.4 -36.32 83.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HE3' ' NH2' ' A' ' 18' ' ' ARG . 54.4 tttt -65.82 -33.28 75.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.58 -11.44 53.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.841 ' CG ' HD23 ' A' ' 39' ' ' LEU . 10.8 ttm -81.04 -29.1 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.656 HG21 ' CG2' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -90.27 -98.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.558 ' H ' HG23 ' A' ' 12' ' ' VAL . 7.4 t 46.68 25.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 110.074 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 12.6 tttp -154.1 57.65 0.72 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.431 ' CE2' HG12 ' A' ' 12' ' ' VAL . 2.2 m-85 -150.33 146.0 26.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HD3' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -43.2 -45.91 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.378 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' CE2' ' HD3' ' A' ' 16' ' ' LYS . 56.7 m-85 -131.65 76.14 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' NH2' ' HE3' ' A' ' 9' ' ' LYS . 18.0 ttp180 -59.85 -39.59 85.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -55.77 18.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.36 -35.24 76.9 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -70.39 -56.84 5.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.745 ' O ' HG22 ' A' ' 26' ' ' VAL . 4.0 t -56.7 -28.82 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -32.5 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.219 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -41.05 44.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.589 HG23 HD11 ' A' ' 55' ' ' LEU . 18.4 m -67.42 -50.86 57.55 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.444 1.09 . . . . 0.0 110.451 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 22' ' ' VAL . 31.7 m -57.0 -41.45 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' HB3' HD21 ' A' ' 125' ' ' LEU . 37.0 m-20 -56.01 -42.12 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.454 HG13 ' CE2' ' A' ' 32' ' ' TYR . 22.4 t -61.21 -65.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' LYS . 35.3 pt -56.5 -23.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.0 m -71.96 -27.52 62.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -88.52 -45.47 9.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.454 ' CE2' HG13 ' A' ' 28' ' ' VAL . 15.9 m-85 -87.07 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.056 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER 83.46 6.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 -24.52 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.35 139.34 45.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -123.45 116.7 28.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' CG ' HD22 ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.0 128.99 11.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -122.16 162.85 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.841 HD23 ' CG ' ' A' ' 11' ' ' MET . 0.9 OUTLIER -113.74 140.66 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.633 ' N ' HD13 ' A' ' 39' ' ' LEU . 45.1 p30 -143.53 152.27 41.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.7 t -133.64 119.67 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.087 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.1 t80 -129.69 162.17 28.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.43 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 3.4 m -82.75 135.15 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.729 ' CE2' HD12 ' A' ' 52' ' ' LEU . 24.0 m-85 -139.68 -62.08 0.53 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -56.23 92.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 46.3 27.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.88 61.38 1.36 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.39 111.78 9.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 110.054 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.63 135.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -142.98 137.19 29.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.48 128.11 35.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.729 HD12 ' CE2' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -143.7 147.46 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.37 155.6 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.493 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.8 p-10 -152.12 146.62 25.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.589 HD11 HG23 ' A' ' 25' ' ' THR . 0.5 OUTLIER -99.19 142.88 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 t -156.25 135.8 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.86 -176.21 43.74 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.59 HG21 ' O ' ' B' ' 205' ' ' PRO . 3.0 p -107.48 110.14 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.508 HG23 ' HD2' ' A' ' 60' ' ' PRO . 8.6 mt -85.66 137.28 36.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.508 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.97 111.37 3.31 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.26 115.29 60.02 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo -74.94 134.77 18.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.36 -174.8 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 48.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -177.55 -35.8 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -175.33 -175.62 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.739 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 60.7 m -114.23 104.37 12.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CD1' ' HB3' ' B' ' 210' ' ' PRO . 3.3 m-85 -81.7 -167.7 1.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.1 OUTLIER -130.88 118.59 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 109.38 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.402 HD12 ' HD3' ' B' ' 210' ' ' PRO . 0.0 OUTLIER -108.28 141.83 24.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.773 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.02 146.49 32.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.791 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.641 HD12 ' SD ' ' A' ' 131' ' ' MET . 14.0 mm -136.43 150.44 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.564 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 42.5 t -154.33 127.81 8.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 108.277 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.9 pt? -159.65 145.25 15.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.538 ' CE3' HD13 ' A' ' 52' ' ' LEU . 32.3 m95 -83.78 -178.98 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 107.969 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.995 HD11 HD21 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -150.64 106.03 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt -76.8 -167.59 0.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -85.88 -58.89 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 t -174.19 64.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 1.5 t80 178.37 96.37 0.15 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.534 ' HA ' ' HA ' ' A' ' 80' ' ' TYR . 18.1 Cg_endo -75.09 -164.19 3.5 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.934 0.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -56.15 -16.86 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.46 168.9 12.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.686 ' HG3' HD12 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -74.97 124.13 8.41 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.488 1.783 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -12.47 21.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.542 1.812 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.401 HG21 ' CD1' ' A' ' 75' ' ' TRP . 4.2 mp -90.48 98.4 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.3 m -132.08 117.11 17.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 108.31 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' SG ' ' A' ' 73' ' ' CYS . 49.1 p90 -152.33 159.59 43.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.146 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.935 HG12 ' O ' ' A' ' 107' ' ' GLY . 13.3 p -97.7 146.59 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.05 81.67 28.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.515 ' CB ' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -74.96 156.48 43.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.8 p -71.59 -167.11 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -33.51 13.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.959 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.62 -17.92 59.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 4.0 mtt -63.66 -171.84 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.2 m -145.22 106.25 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.62 131.77 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.06 89.15 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 104' ' ' ASP . 2.2 p -65.18 141.86 58.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.81 -148.38 8.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.584 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 0.0 OUTLIER -90.16 45.38 1.26 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 0.768 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 101' ' ' LYS . 14.3 m170 -153.51 -50.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.568 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 104' ' ' ASP . 19.4 t -111.22 166.67 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.644 ' O ' HG22 ' A' ' 99' ' ' THR . 0.6 OUTLIER -100.84 -61.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 177.42 -36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.84 -18.1 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.23 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.935 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 115.6 -5.11 21.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 137.85 45.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.6 mt -68.96 122.93 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.536 ' O ' HD22 ' A' ' 111' ' ' LEU . 20.0 t80 -105.96 35.76 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 1.0 OUTLIER -117.43 121.95 31.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.83 4.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 111' ' ' LEU . 27.9 m-85 -70.67 -20.12 62.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.7 tp -79.81 -31.42 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.232 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.99 20.31 4.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -115.88 -75.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 44.7 t-105 -62.59 -78.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 108.048 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.547 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER 39.51 39.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.961 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -52.52 -46.22 95.42 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 109.56 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.961 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.5 Cg_endo -74.99 -45.37 0.46 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.023 -0.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 25.5 tp60 60.53 -66.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.612 ' N ' ' O ' ' A' ' 120' ' ' PRO . 8.2 t -40.77 157.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.941 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 126' ' ' GLY . 51.3 m-20 -131.25 167.56 19.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.995 HD21 HD11 ' A' ' 76' ' ' LEU . 4.1 tp -43.35 -39.64 3.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 27' ' ' ASN . 7.8 mp -62.68 -46.47 88.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 123' ' ' ASP . . . -70.24 -21.76 77.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.29 -61.02 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 0.739 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 124' ' ' LEU . 4.8 mp -63.78 -38.97 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.12 -46.43 68.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 134' ' ' VAL . 3.0 t -65.22 -35.54 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.641 ' SD ' HD12 ' A' ' 72' ' ' ILE . 52.1 ttm -69.95 -34.3 73.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.6 -31.95 54.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.9 t -76.29 -32.86 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 130' ' ' VAL . 72.6 t -77.19 -39.44 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 3.2 m-85 -103.81 32.5 3.87 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -123.49 -39.45 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.13 -50.88 14.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -106.0 155.52 38.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.562 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.3 Cg_endo -75.08 -26.72 10.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.515 HG21 ' CB ' ' A' ' 91' ' ' PRO . 14.9 p -173.01 61.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 16.8 p90 -59.35 129.54 42.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 6.4 t -98.11 178.28 5.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.447 ' N ' ' OG ' ' A' ' 143' ' ' SER . 6.4 ppt_? -64.66 155.5 81.65 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.567 1.167 . . . . 0.0 110.288 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.04 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . 0.59 ' O ' HG21 ' A' ' 58' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -49.59 149.17 4.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.45 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.4 Cg_endo -74.97 -85.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.555 1.818 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.738 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 77.39 -55.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.382 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 87.62 148.34 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.576 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 137.61 21.9 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.447 1.762 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 -176.5 2.92 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' B' ' 213' ' ' GLU . 0.2 OUTLIER -104.55 158.58 16.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' B' ' 212' ' ' GLU . 1.1 pp20? . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -105.02 -13.05 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -59.57 -29.97 68.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.399 1.062 . . . . 0.0 110.05 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 4' ' ' SER . 3.8 m -71.94 -55.88 6.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -31.22 70.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 12' ' ' VAL . 2.7 tp -56.31 -51.91 66.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -26.47 64.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.38 -13.06 55.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.419 ' SD ' ' CB ' ' A' ' 39' ' ' LEU . 28.0 mtm -91.34 -13.69 32.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -109.82 -100.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.509 ' H ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER 53.44 23.4 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -129.3 -45.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.469 ' CD2' HG21 ' A' ' 21' ' ' THR . 3.7 m-85 -37.58 142.32 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.899 ' HB2' HG21 ' A' ' 79' ' ' THR . 0.6 OUTLIER -55.83 -25.33 41.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -140.1 61.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 18' ' ' ARG . 10.1 ttp-105 -49.18 -47.15 46.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -59.75 -54.08 50.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.21 -42.75 77.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.614 1.196 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 15' ' ' TYR . 85.7 m -64.61 -57.15 9.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.987 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.5 t -54.29 -43.47 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.495 ' HA ' HG22 ' A' ' 26' ' ' VAL . 12.9 ttt-85 -60.1 -27.96 67.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.3 mt-10 -78.16 -29.05 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.1 m -87.45 -44.9 10.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.987 HG13 ' O ' ' A' ' 22' ' ' VAL . 9.5 m -51.42 -52.8 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.703 ' ND2' HD13 ' A' ' 125' ' ' LEU . 5.1 p-10 -64.21 -46.82 82.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 24' ' ' GLU . 2.8 t -53.7 -61.68 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 25' ' ' THR . 10.3 pt -59.12 -31.5 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 12.1 m -76.39 -16.14 59.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.19 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.596 HD23 ' CE1' ' A' ' 32' ' ' TYR . 4.5 tp -89.84 -43.17 10.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.231 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.596 ' CE1' HD23 ' A' ' 31' ' ' LEU . 8.9 m-85 -99.37 -56.64 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' ILE . 1.0 OUTLIER 78.81 2.73 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -106.26 -20.75 13.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.52 HD13 ' CG2' ' A' ' 59' ' ' ILE . 1.1 tp -85.67 137.92 32.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -119.43 115.77 33.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 122.91 7.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.2 m -117.49 154.89 19.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.438 ' C ' HD13 ' A' ' 39' ' ' LEU . 1.4 tm? -106.13 115.1 29.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -107.22 152.92 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 27.7 t -153.51 109.19 3.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.595 1.184 . . . . 0.0 109.985 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 2.1 t80 -143.31 168.52 19.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.673 HG12 ' N ' ' A' ' 49' ' ' SER . 13.8 m -83.88 141.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 28.4 m-85 -145.6 -65.15 0.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -52.93 97.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t70 50.11 25.85 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.28 55.09 3.15 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -128.72 121.44 28.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 0.735 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.673 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -39.76 140.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.622 ' CZ ' HD21 ' A' ' 77' ' ' LEU . 7.4 ttm180 -146.2 135.94 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 1.1 tt0 -97.23 143.34 28.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.063 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -174.33 146.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.98 134.84 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.598 ' C ' HD22 ' A' ' 55' ' ' LEU . 4.6 t30 -116.82 157.95 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.598 HD22 ' C ' ' A' ' 54' ' ' ASN . 1.2 mm? -114.69 139.38 49.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -146.94 157.15 43.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.79 -165.47 25.07 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 11.2 p -126.22 133.66 51.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.658 HD12 HG12 ' A' ' 132' ' ' ILE . 39.4 pt -106.42 149.39 38.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.59 3.83 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.437 1.757 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.623 HG13 ' HA2' ' A' ' 136' ' ' GLY . 2.4 t -109.77 109.76 59.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.04 40.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.92 -149.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -21.84 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.417 ' C ' ' CG ' ' A' ' 66' ' ' ASN . . . 176.23 37.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' CG ' ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -164.26 135.72 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.265 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.4 m -111.04 103.03 11.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.3 m-85 -88.04 -165.24 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.424 ' O ' ' HA ' ' B' ' 207' ' ' PRO . 0.1 OUTLIER -130.67 117.73 19.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -109.87 149.73 40.38 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.394 1.059 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.621 ' O ' HG23 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.06 150.42 37.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.436 HD12 ' SD ' ' A' ' 131' ' ' MET . 20.8 mm -143.03 138.79 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.753 ' O ' HD22 ' A' ' 74' ' ' LEU . 12.1 t -140.35 125.73 18.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.753 HD22 ' O ' ' A' ' 73' ' ' CYS . 4.0 mm? -134.86 125.41 26.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -93.18 84.29 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.542 HD11 HD11 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -70.39 102.78 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.622 HD21 ' CZ ' ' A' ' 50' ' ' ARG . 4.7 mt -67.96 -176.08 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.1 OUTLIER -74.45 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.899 HG21 ' HB2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 177.99 54.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.453 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.524 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 2.5 m-85 -162.05 138.99 6.25 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -74.98 -21.67 14.97 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.012 -0.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.82 -42.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.49 167.95 18.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 113.29 3.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.659 ' HA ' HD11 ' A' ' 114' ' ' LEU . 18.1 Cg_endo -75.01 -43.88 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.446 1.761 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.59 104.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 74' ' ' LEU . 61.4 m -138.51 116.49 11.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 108.381 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 73' ' ' CYS . 13.8 p90 -159.95 173.19 16.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -105.26 154.52 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 71' ' ' PRO . 9.8 mmtt -118.63 85.23 26.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -75.0 177.74 8.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.437 1.756 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.6 p -97.37 -163.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.91 -37.47 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -11.41 60.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.177 . . . . 0.0 109.95 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' B' ' 207' ' ' PRO . 3.1 mtt -71.14 -173.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.073 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.436 ' HG1' ' C ' ' A' ' 95' ' ' MET . 24.9 m -152.68 103.85 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.77 HD13 ' O ' ' A' ' 105' ' ' ALA . 0.4 OUTLIER -72.5 144.4 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -119.81 100.89 7.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 104' ' ' ASP . 24.0 p -66.1 139.28 58.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.4 -148.3 6.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -89.31 50.08 1.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 0.802 . . . . 0.0 109.259 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -164.44 -55.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.614 1.196 . . . . 0.0 109.59 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.6 t -112.49 151.31 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.553 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.8 OUTLIER -94.85 -54.77 3.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.77 ' O ' HD13 ' A' ' 97' ' ' ILE . . . 172.6 -39.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.63 -6.45 44.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.545 ' CA ' HD11 ' A' ' 97' ' ' ILE . . . 82.83 26.1 46.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.419 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -106.58 121.92 45.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 56.1 mt -57.03 129.05 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.653 ' O ' HD22 ' A' ' 111' ' ' LEU . 75.2 t80 -128.7 47.28 2.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.653 HD22 ' O ' ' A' ' 110' ' ' TYR . 1.7 mm? -123.29 160.01 52.14 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.4 3.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.779 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -101.32 -42.49 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.659 HD11 ' HA ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -77.6 -38.48 48.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.76 44.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -125.03 -76.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.278 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.47 ' NE1' ' HB2' ' A' ' 119' ' ' HIS . 5.0 t90 -66.76 -83.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.567 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.1 tttt 41.19 49.52 3.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.984 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -55.9 -44.68 99.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.984 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.99 -50.64 0.18 OUTLIER 'Cis proline' 0 C--N 1.361 1.215 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.982 -0.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.411 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 17.5 tp60 62.8 -65.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 120' ' ' PRO . 2.9 t -47.43 170.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.9 169.66 15.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.542 HD11 HD11 ' A' ' 76' ' ' LEU . 5.4 mp -40.53 -44.22 2.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.703 HD13 ' ND2' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -52.39 -62.23 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.15 -37.63 59.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.0 tt -64.36 -58.27 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.424 ' CG2' ' OH ' ' A' ' 32' ' ' TYR . 5.6 mt -61.22 -34.62 61.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -54.72 -46.13 74.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 134' ' ' VAL . 43.0 t -62.54 -47.3 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.436 ' SD ' HD12 ' A' ' 72' ' ' ILE . 18.6 ttm -59.49 -38.82 81.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.658 HG12 HD12 ' A' ' 59' ' ' ILE . 23.0 mt -61.27 -33.52 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.0 t -80.1 -39.17 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 130' ' ' VAL . 88.4 t -69.16 -36.6 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 140' ' ' PRO . 4.9 m-85 -110.23 33.25 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.623 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -121.45 -42.4 0.46 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.536 1.147 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -69.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 0.716 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -84.96 155.78 60.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.404 1.065 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.21 3.74 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.558 ' HB3' ' CD2' ' A' ' 135' ' ' PHE . 18.4 Cg_endo -74.97 -28.52 9.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.439 1.758 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 141' ' ' VAL . 7.1 p -170.19 59.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' B' ' 210' ' ' PRO . 25.6 p90 -56.06 137.08 51.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.596 1.185 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 208' ' ' THR . 2.1 t -103.28 174.22 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.419 ' N ' ' OG ' ' A' ' 143' ' ' SER . 1.5 ptt85 -62.09 155.98 61.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.953 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -52.25 151.27 7.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.465 ' HB2' ' CE ' ' A' ' 95' ' ' MET . 18.3 Cg_endo -74.99 -84.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.723 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 76.14 -55.81 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.408 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 86.75 151.5 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.06 139.73 24.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.573 1.828 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.01 163.75 34.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.43 -15.21 18.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.76 -23.78 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -56.9 -22.49 37.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.65 -28.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.4 t -68.66 -53.3 23.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -79.81 -25.39 40.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.31 -34.47 77.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.951 ' N ' HD13 ' A' ' 8' ' ' LEU . 7.5 ttmt -73.49 -29.52 62.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -21.6 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.401 ' HB3' HD23 ' A' ' 39' ' ' LEU . 22.7 mtp -67.24 -13.18 61.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.61 HG12 ' CD1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -114.4 -90.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.584 1.178 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 12' ' ' VAL . 45.3 t 67.28 -60.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' VAL . 13.3 tttt -86.52 54.06 3.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.61 ' CD1' HG12 ' A' ' 12' ' ' VAL . 1.2 m-85 -125.49 127.82 47.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -39.91 -61.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -105.2 55.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.9 ttp180 -51.67 -40.4 59.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -70.24 -57.75 4.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.97 -39.46 63.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.456 HG23 HD21 ' A' ' 76' ' ' LEU . 96.3 m -70.27 -55.24 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.451 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.907 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.6 t -49.68 -38.73 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -39.16 63.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -41.8 91.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.0 m -65.95 -59.43 3.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 22' ' ' VAL . 28.2 m -55.89 -40.89 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' HB3' HD11 ' A' ' 125' ' ' LEU . 7.4 m-20 -54.6 -47.21 73.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 t -55.96 -68.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.4 pt -52.86 -27.49 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 5.3 m -74.91 -30.22 61.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.133 . . . . 0.0 110.382 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 tt -85.59 -46.75 10.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 45.1 m-85 -92.14 -67.89 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 32' ' ' TYR . 1.3 ttpp 87.59 12.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -109.68 -22.6 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.634 HD13 HG22 ' A' ' 59' ' ' ILE . 1.3 tp -75.42 174.49 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -153.75 117.77 2.71 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.624 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.05 129.15 12.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -132.75 162.7 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.794 HD13 ' N ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -116.52 148.06 41.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.794 ' N ' HD13 ' A' ' 39' ' ' LEU . 3.7 p30 -140.88 160.23 40.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -133.46 142.88 48.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -159.17 145.33 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.523 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 3.7 m -78.63 140.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 42' ' ' TYR . 21.9 m-85 -147.82 -55.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -56.95 87.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 17.7 t70 49.49 23.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.16 59.9 1.03 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -139.34 118.33 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 0.816 . . . . 0.0 109.949 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -38.12 141.86 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.44 HH11 HD12 ' A' ' 52' ' ' LEU . 6.5 ttm180 -137.48 140.09 40.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.41 114.36 22.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.936 HD21 HD22 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -133.08 141.46 48.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.77 ' HA ' HD22 ' A' ' 39' ' ' LEU . 9.0 ttp -89.03 162.66 15.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 3.0 p-10 -163.35 149.61 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 37' ' ' PRO . 28.8 mt -113.76 161.67 17.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 t -165.95 145.18 6.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 71' ' ' PRO . . . 160.1 -171.38 36.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.407 HG22 ' HB3' ' B' ' 207' ' ' PRO . 10.3 p -112.11 107.47 16.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 0.725 . . . . 0.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.634 HG22 HD13 ' A' ' 35' ' ' LEU . 28.1 pt -85.2 149.48 52.7 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 114.71 4.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 61' ' ' VAL . 2.3 t -109.49 103.89 53.93 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.477 ' N ' HG23 ' A' ' 67' ' ' THR . 18.3 Cg_endo -74.98 153.64 41.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.38 20.96 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 71.26 75.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.286 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 129.89 -31.43 3.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -152.22 146.9 25.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 62' ' ' PRO . 87.1 m -125.53 115.22 19.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' B' ' 211' ' ' PRO . 1.1 m-85 -90.18 -168.22 2.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB2' ' HA ' ' B' ' 207' ' ' PRO . 0.4 OUTLIER -120.07 115.23 23.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -113.53 128.47 25.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.472 ' HG3' ' CB ' ' B' ' 207' ' ' PRO . 18.3 Cg_endo -74.95 166.76 28.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.576 HG23 ' N ' ' A' ' 73' ' ' CYS . 0.0 OUTLIER -164.46 174.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.576 ' N ' HG23 ' A' ' 72' ' ' ILE . 11.3 t -173.72 116.46 0.24 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 108.31 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 55' ' ' LEU . 1.8 pt? -135.33 165.25 25.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -104.01 156.26 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 108.041 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.742 HD11 HD21 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -126.48 110.12 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.936 HD22 HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -82.74 -173.5 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.459 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.9 OUTLIER -88.34 -48.04 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 173.4 63.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.418 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' PRO . 2.1 t80 179.21 82.14 0.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -75.04 177.92 36.96 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.976 0.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -66.44 -11.51 52.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.693 ' OD1' HD12 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -99.94 164.46 16.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.585 ' HD2' HD13 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 86' ' ' ILE . 18.1 Cg_endo -75.03 -173.7 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 86' ' ' ILE . 6.1 mt 40.08 89.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 13.9 m -116.81 127.46 54.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 6.5 p90 -162.44 160.59 26.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 107' ' ' GLY . 8.3 p -92.36 153.79 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.34 81.01 45.56 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.446 ' HB3' HG21 ' A' ' 141' ' ' VAL . 18.2 Cg_endo -75.04 174.7 12.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.523 HG23 ' SD ' ' A' ' 95' ' ' MET . 44.0 p -96.37 -139.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 110.465 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.72 -44.1 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.433 1.083 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -14.61 61.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.062 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.643 ' HE3' ' HB2' ' B' ' 207' ' ' PRO . 0.0 OUTLIER -77.22 -173.81 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.068 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 141' ' ' VAL . 4.9 t -152.44 130.06 11.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 98' ' ' LYS . 0.9 OUTLIER -81.37 162.75 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.454 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 3.0 tmtm? -131.18 104.26 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.8 p -78.94 138.55 38.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.85 -145.53 5.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 102' ' ' HIS . 0.0 OUTLIER -88.99 45.48 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 101' ' ' LYS . 11.3 m80 -163.31 -45.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.554 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.5 t -110.82 156.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.419 1.074 . . . . 0.0 109.327 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.657 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 1.7 t0 -103.77 -58.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 104' ' ' ASP . . . 165.32 -30.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.61 2.54 50.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.606 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 87.38 0.11 84.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.69 120.26 24.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 23.5 mt -59.74 124.13 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -89.16 -47.35 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -44.08 107.8 0.64 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 59.77 5.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.517 ' CG ' ' N ' ' A' ' 114' ' ' LEU . 2.3 p90 -82.81 -38.35 23.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.517 ' N ' ' CG ' ' A' ' 113' ' ' TYR . 1.5 tt -57.81 -29.76 65.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.55 36.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.64 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -128.33 -48.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.071 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 120' ' ' PRO . 37.4 t-105 -72.84 -81.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 107.975 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.553 ' C ' ' HA ' ' A' ' 120' ' ' PRO . 1.5 ttpm? 37.6 40.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.985 ' N ' ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -54.77 -45.3 99.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.563 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.985 ' HA ' ' N ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.01 -48.67 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.006 -2.498 . . . . 0.0 110.999 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . 25.1 tp60 65.02 -61.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 120' ' ' PRO . 5.1 t -49.98 162.9 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -129.76 162.43 28.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.742 HD21 HD11 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -48.56 -40.49 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 27' ' ' ASN . 11.3 mp -64.72 -46.59 81.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.56 -31.85 77.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.051 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.693 HD12 ' OD1' ' A' ' 83' ' ' ASN . 3.2 tt -57.18 -60.75 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.06 -30.22 38.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -44.28 88.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.12 -45.03 96.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.424 ' SD ' HD11 ' A' ' 72' ' ' ILE . 2.5 ttm -61.96 -34.44 76.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.408 ' CD1' ' OH ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -62.36 -38.13 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.102 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.18 -34.98 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.7 t -72.5 -49.4 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.65 -1.67 47.53 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.66 -25.29 13.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -47.68 11.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.01 151.65 45.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 112.82 3.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.771 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -28.27 9.2 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 96' ' ' THR . 7.5 p -170.42 59.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.574 ' O ' ' CG ' ' A' ' 142' ' ' PHE . 27.1 p90 -66.57 114.22 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' ARG . 6.2 t -81.51 177.97 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 143' ' ' SER . 30.9 ptt180 -93.15 155.74 40.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 151.92 63.24 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 207' ' ' PRO . . . . . 0.643 ' HB2' ' HE3' ' A' ' 95' ' ' MET . 18.2 Cg_endo -74.95 -81.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 208' ' ' THR . . . . . 0.751 ' O ' ' HB3' ' B' ' 209' ' ' ALA . 0.4 OUTLIER 74.37 -57.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.173 . . . . 0.0 110.399 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' B' ' 208' ' ' THR . . . 89.7 152.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 146.23 32.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 211' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 178.43 7.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 212' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 160.47 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.979 . . . . . . . . 0 0 . 1 stop_ save_